Information regarding usage of ValiDichro



Usage Guide:

Click here to download a .pdf file with descriptions of the validation procedures used by ValiDichro.
Click here to download sample data for use with this tutorial.

Upload the file containing the Final Processed Spectrum in the 'Add Final Processed Spectrum..' box.
Select the appropriate format and the units of measure of the Final Processed Spectrum.




If the file containing the Final Processed Spectrum does not contain all of the data and meta data needed (in many file formats not all of this data can be contained in a single file) then specific data or meta-data types can be added individually in the boxes above the 'Add Final Processed Spectrum..' box. The contents of these boxes can be made visible by clicking on the labelled grey bars.
Help information relating to each data type can be accessed by clicking on the blue '?' on the right hand side of each row.
In the example below the calibration spectrum is being uploaded separately and meta-data not present in the uploaded calibration spectrum ('CSA/ACS Standard Spectrum') file is being filled in manually.
Manual entry of meta-data in this way can also be used to over-ride the meta-data provided in an uploaded file.


When all the relevant data and meta-data have been supplied click on the 'Validate Data' button.















Once the data has been processed the 'Validation Results' page will be displayed. This consists of a table on the left hand side of the page listing the names of the validation procedures applied using the data provided (see below).
Results for the validation procedures come in three catagories, on the web page these are grouped and colour coded using a 'traffic light' system;

red: Failed
orange: Flagged
green: Passed

If not enough data has been supplied to carry out a validation procedure then it will be listed at the bottom of the table under the heading 'Data Unavailable'
Information about each validation procedure can be obtained by clicking it's name on the table on the left. This brings up three boxes on the main part of the page.
The top box 'Result Summary' contains output dynamically generated by ValiDichro when performing the validation procedure. It contains information stating why the result generated was generated, along with additional data which may aid the user in identifying the source of any problem found.
The middle box 'Test Description' contains a description of how the validation procedure functions.
The bottom box 'Test Suggestions' contains suggestions and advice aimed at assisting the user in rectifying any problem identified.


Uploaded data can be viewed in a separate window/tab by selecting 'JSpecView' via the menu bar at the top of the page. The window will appear after a 1-2 second delay.
'Access Data' - 'View Data' - 'JSpecView'
Some browsers block the appearance of pop-up windows, if this is the case with your browser then it must be enabled (for this website) in order to make use of this facility. Java applets also need to be enabled to use this feature, click here for information explaining how to enable Java on different browsers.












An example of the pop-up window (entitled: 'Inspect uploaded data with JSpecView') is shown below. Clicking on the menu on the left hand side of the page will bring up a JSpecView Applet of the data type specified. Meta data pertaining to each data type can be accessed by clicking on the applet and interacting with a popup menu.


On the 'Validation Results' page all data uploaded can be downloaded (as a single collated file) in either XML format or the newly accepted industry standard JCAMPDX-CD format.
Both of these formats are compatable with deposition to the Protein Circular Dichroism Data Bank.











A PDF summary of the validation result can be downloaded via the menu bar at the top of the validation results page.
To do this select 'Download Report' then click on 'PDF'.







__


Uploading data (additional info):

ValiDichro accepts data in mulitiple file formats, this generates the following issue:
Different file formats can contain different types of data and meta-data rendering different fields on the upload page either essential or surplus to requirements.
Formats containing meta-data but requiring multiple files to be uploaded in order to include all raw repeats, partially processed spectra and a final processed spectrum (plus a calibration spectrum) could, potentially, contain contradictory meta-data.
To address this issue in as intuitive a way as possible the parsing procedure is carried out according to the following rules:
i) If a field is filled manually on the upload page, this data (or meta-data) will not be taken from any other file parsed.
ii) If a field is left un-filled then ValiDichro will search for this missing data/meta-data in the uploaded files (based on the data type catagories /fields these uploaded files were uploaded next to) in the following order:
	    1. Final Processed Spectrum
	    2. Net Spectrum
	    3. Average Spectrum
	    4. Average Baseline
	    5. CSA/ACS Calibration Spectrum
	    6. Raw Sample Spectra (1 -> n)
	    7. Raw Baseline Spectra (1 -> n)
	    8. Raw Ht (1 -> n)
	    9. Raw Baseline Ht (1 -> n) 
For example; if a file containing an instance of a Raw Sample Spectrum also contains the High Tension Voltage (Ht) then there is no need to upload the same file in the Raw Sample Ht field, this additional information will be automatically parsed.
If the mean residue weight is manually included in the field on the upload page, but different in an uploaded file, the manually included entry will take precedence.




File format examples:

We are always looking to improve the accessibility of this site.
If the file format you are looking for is not listed below please contact the site administrator.

Format: CDTool
Generic               	_r15943.gen
Date                  	2005-06-24T21:05:15
Experiment            	carboxypeptidase A (bovine)
Code                  	c20
Low Wavelength        	168
High Wavelength       	280
Interval (nm)         	1
Cut off (nm)          	168
Machine               	12.1
Dwell time (s)        	1
Cell ID               	a2
Pathlength (cm)       	0.00216
Concentration (mg/ml) 	2.14
Cut off (nm)          	168
Smoothing window      	7
Temperature           	4
PDB                   	5cpa
M.R.W. (Da)           	112.5
Calibration file      	r15911.gen
Units                 	DE(c192::c290)
Zeroed between        	263	270
Baselines             	r15947.dat::r15948.dat::r15949.dat
Samples               	r15943.dat::r15944.dat::r15945.dat::r15946.dat
Description           	sg24 (A2)
280.0	   -1.88204E-01	    3.95600E+02	   -1.88204E-01	    0.00000E+00	    9.48098E-02	    1.07681E-01
279.0	    9.20182E-02	    3.94725E+02	    9.20182E-02	    0.00000E+00	    9.21943E-02	    5.17392E-02
278.0	   -7.05282E-02	    3.93900E+02	   -7.05282E-02	    0.00000E+00	    8.60386E-02	    7.90491E-02
277.0	    2.63995E-02	    3.93100E+02	   -1.81896E-03	    0.00000E+00	    6.47263E-02	    5.17603E-02
276.0	   -7.47431E-02	    3.92275E+02	   -2.51832E-02	    0.00000E+00	    1.38045E-01	    7.90813E-02
	  

Format: PCDDB
PCDDB DATA FILE                                             
PCDDBID                                                     SP175AN00
FILE EXTRACTED                                              2010-05-06
Protein Name                                                Carbonic anhydrase I
Alternative Protein Names                                   Carbonate dehydratase I, Carbonic anhydrase B
Source Organism                                             Homo sapiens
Expression System or natural source                         natural source
Expressed As                                                Wild-type
Expression tags (if any)                                    No data provided
Ligands Present and Concentration or ratio                  No data provided
Macromolecular Partner(s) and Concentration or ratio        No data provided
Deposition Date                                             2009-11-25
Dichroism Units                                             Delta Epsilon
CD or SRCD                                                  SRCD
Protein Concentration (mg/ml)                               15.24
Concentration Quantification Method                         QAA
Protein Purity (%)                                          90
Purity Quantification Method                                No data provided
Buffer Contents and Concentrations                          water
Baseline Contents                                           water
Experimental Temperature (C)                                4
Instrument or beamline                                      Daresbury 12.1
Detector Angle (Scattering Angle)                           No data provided
Sample Cell Pathlength (cm)                                 0.001
Cell Pathlength Calibration Method                          Interferometry
Sample Cell Type                                            Cylindrical-Demountable
Sample Cell Composition                                     CaF2
Sample Chamber Atmosphere                                   Nitrogen
Number of repeat scans                                      3
Maximum (highest) wavelength, nm                            279
Minimum (lowest) wavelength, nm                             175
Criteria for low wavelength cutoff                          HT value
Wavelength interval, nm                                     1
Dwell or Averaging time, seconds                            1
Experimental Collection date                                2004-11-24
Local Spectrum Identifier                                   r12736
CSA or ACS                                                  CSA
Dichroism Units for CSA Standard                            Millidegrees (theta)
CSA/ACS Standard Concentration (mg/ml)                      11.4
CSA/ACS Pathlength (mm)                                     0.1
CSA/ACS Zeroed at                                           235-245
CSA/ACS Date Measured                                       2004-11-24
CSA/ACS Ratio (192.5nm and 290.0 nm)                        1.97
CD signal at 290nm (mdeg)                                   36.7
CSA/ACS Experiment temperature, C                           25
Molecular Weight                                            28739
Number of Residues                                          260
Mean Residue Weight                                         111
Data Processing Software Name                               CDTool
Data Processing Software Version                            1.4
Number of Smoothing Points                                  5
Wavelength Range for Zeroing                                263-270
Secondary Structure Calculated from                         PDB File
DSSP value: alpha helix                                     0.085
DSSP value: 3-10 helix                                      0.093
DSSP value: pi helix                                        0
DSSP value: beta strand                                     0.291
DSSP value: beta bridge                                     0.008
DSSP value: bonded turn                                     0.097
DSSP value: bend                                            0.167
DSSP value: loop or irregular                               0.26
PDB ID                                                      1hcb
UniProt ID                                                  P00915
Enzyme Classification (EC)                                  4.2.1.1
Medline Entry                                               16787970
Cath Classification                                         3.10.200.10
Sequence                                                    ASPDWGYDDK NGPEQWSKLY PIANGNNQSP VDIKTSETKH DTSLKPISVS YNPATAKEII NVGHSFHVNF EDNDNRSVLK GGPFSDSYRL FQFHFHWGST NEHGSEHTVD GVKYSAELHV AHWNSAKYSS LAEAASKADG LAVIGVLMKV GEANPKLQKV LDALQAIKTK GKRAPFTNFD PSTLLPSSLD FWTYPGSLTH PPLYESVTWI ICKESISVSS EQLAQFRSLL SNVEGDNAVP MQHNNRPTQP LKGRTVRASF 
Type of protein                                             soluble globular
Keyword/phrase A                                            SP175
Keyword/phrase B                                            single domain type
Keyword/phrase C                                            mixed alpha beta
Keyword/phrase D                                            No data provided
Keyword/phrase E                                            No data provided
Keyword/phrase F                                            No data provided
Keyword/phrase G                                            No data provided
Keyword/phrase H                                            No data provided
Keyword/phrase I                                            No data provided
Keyword/phrase J                                            No data provided
Publication Authors                                         Lees, J.G., Wien, F., Miles, A.J. & Wallace, B.A.,
Publication Year                                            2006
Publication Journal                                         Bioinformatics
Publication Title                                           A reference database for circular dichroism spectroscopy covering fold and secondary structure space
Publication Volume                                          22
Publication Pages                                           1955-1962
Depositor Name                                              Andrew Miles
Department/School name                                      Crystallography
University/Institution/Corporation                          Birkbeck
Depositor Country                                           United Kingdom
Name of Principal Investigator (if not depositor)           B.A. Wallace
DATA (0. Wavelength. 1. Final. 2. HT. 3.Smoothed. 4. Avg. Sample. 5. Avg. Baseline.)
279.0     2.83777E-02      3.96700E+02      7.70393E-02      4.35373E-01      5.00000E-01 
278.0    -1.85502E-02      3.95800E+02     -5.03521E-02      3.07981E-01      4.33333E-01 
277.0    -4.28247E-02      3.95000E+02     -1.16225E-01      2.08775E-01      4.00000E-01 
276.0    -3.38465E-02      3.94200E+02     -9.18447E-02      1.78680E-01      3.79365E-01
CALIBRATION (0. Wavelength. 1. Calibration Spectrum.)       
330.0    -4.00000E-01
329.0    -2.00000E-01
328.0     1.00000E-01
327.0    -2.00000E-01
PCDDB-END
	  

Format: JCAMP-DX
##TITLE=     protein circular dichroism (compound file)
##JCAMP-DX=     5.01
##DATATYPE=     LINK
##BLOCKS=     14
##OWNER=     _
##ORIGIN=     _

##TITLE=     RAW SAMPLE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE PCD
##BLOCK ID=     1
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     1
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     1.10000
##LASTX=     175.0
##MAXY=     35.9
##MINY=     -16.6
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 1.10000
278.0 1.10000
277.0 0.700000
276.0 1.30000
275.0 0.700000
274.0 1.00000
273.0 0.900000
272.0 1.20000
271.0 0.700000
270.0 1.00000
269.0 0.900000
268.0 0.700000
267.0 0.600000
266.0 0.600000
265.0 0.600000
264.0 0.500000
263.0 0.700000
262.0 0.200000
261.0 0.600000
260.0 0.300000
259.0 0.700000
258.0 0.400000
257.0 0.300000
256.0 0.200000
255.0 0.600000
254.0 0.800000
253.0 0.500000
252.0 0.200000
251.0 0.600000
250.0 0.300000
249.0 0.500000
248.0 0.200000
247.0 0.100000
246.0 0.00000
245.0 0.200000
244.0 0.00000
243.0 -0.500000
242.0 -0.600000
241.0 -0.900000
240.0 -1.20000
239.0 -1.60000
238.0 -2.30000
237.0 -3.00000
236.0 -3.70000
235.0 -4.50000
234.0 -5.70000
233.0 -7.00000
232.0 -8.10000
231.0 -9.60000
230.0 -11.1000
229.0 -12.3000
228.0 -13.2000
227.0 -14.2000
226.0 -15.0000
225.0 -15.7000
224.0 -16.3000
223.0 -16.6000
222.0 -16.5000
221.0 -16.2000
220.0 -16.2000
219.0 -16.1000
218.0 -15.8000
217.0 -15.4000
216.0 -15.0000
215.0 -14.6000
214.0 -14.6000
213.0 -14.7000
212.0 -14.7000
211.0 -14.9000
210.0 -15.1000
209.0 -15.1000
208.0 -14.7000
207.0 -14.1000
206.0 -12.1000
205.0 -9.60000
204.0 -6.50000
203.0 -2.90000
202.0 1.30000
201.0 5.40000
200.0 11.0000
199.0 15.9000
198.0 21.5000
197.0 26.4000
196.0 30.0000
195.0 33.4000
194.0 34.7000
193.0 35.9000
192.0 35.6000
191.0 35.1000
190.0 33.5000
189.0 31.4000
188.0 28.8000
187.0 25.7000
186.0 23.2000
185.0 20.6000
184.0 17.9000
183.0 15.5000
182.0 13.8000
181.0 12.6000
180.0 11.1000
179.0 9.70000
178.0 8.70000
177.0 7.60000
176.0 6.20000
175.0 5.60000
##END=

##TITLE=     RAW SAMPLE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE PCD
##BLOCK ID=     2
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     2
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     1.20000
##LASTX=     175.0
##MAXY=     35.2
##MINY=     -16.2
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 1.20000
278.0 1.00000
277.0 1.00000
276.0 1.00000
275.0 0.900000
274.0 1.10000
273.0 1.00000
272.0 0.800000
271.0 1.20000
270.0 1.10000
269.0 0.900000
268.0 0.900000
267.0 0.900000
266.0 0.700000
265.0 0.600000
264.0 0.500000
263.0 0.900000
262.0 0.700000
261.0 0.400000
260.0 0.600000
259.0 0.600000
258.0 0.600000
257.0 0.700000
256.0 0.400000
255.0 0.700000
254.0 0.600000
253.0 0.600000
252.0 0.600000
251.0 0.600000
250.0 0.400000
249.0 0.700000
248.0 0.200000
247.0 0.300000
246.0 0.200000
245.0 0.300000
244.0 0.00000
243.0 -0.100000
242.0 -0.500000
241.0 -0.900000
240.0 -1.20000
239.0 -1.80000
238.0 -2.20000
237.0 -3.00000
236.0 -3.80000
235.0 -4.70000
234.0 -5.80000
233.0 -6.90000
232.0 -7.90000
231.0 -9.10000
230.0 -10.7000
229.0 -11.9000
228.0 -13.0000
227.0 -13.8000
226.0 -14.7000
225.0 -15.5000
224.0 -15.7000
223.0 -16.1000
222.0 -16.2000
221.0 -16.0000
220.0 -15.9000
219.0 -15.5000
218.0 -15.3000
217.0 -14.8000
216.0 -14.7000
215.0 -14.6000
214.0 -14.2000
213.0 -14.1000
212.0 -14.4000
211.0 -14.7000
210.0 -14.8000
209.0 -15.1000
208.0 -14.6000
207.0 -13.4000
206.0 -12.0000
205.0 -9.50000
204.0 -6.60000
203.0 -3.30000
202.0 0.700000
201.0 5.00000
200.0 9.90000
199.0 15.2000
198.0 20.4000
197.0 25.8000
196.0 29.4000
195.0 32.2000
194.0 33.8000
193.0 35.2000
192.0 34.8000
191.0 34.3000
190.0 33.1000
189.0 30.6000
188.0 27.7000
187.0 25.0000
186.0 22.6000
185.0 19.9000
184.0 17.4000
183.0 15.3000
182.0 13.7000
181.0 11.9000
180.0 10.7000
179.0 9.60000
178.0 8.40000
177.0 7.30000
176.0 6.60000
175.0 5.20000
##END=

##TITLE=     RAW SAMPLE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE PCD
##BLOCK ID=     3
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.900000
##LASTX=     175.0
##MAXY=     33.9
##MINY=     -15.8
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.900000
278.0 0.600000
277.0 1.10000
276.0 0.700000
275.0 1.10000
274.0 0.900000
273.0 0.900000
272.0 1.10000
271.0 1.10000
270.0 0.800000
269.0 0.900000
268.0 1.30000
267.0 0.700000
266.0 1.00000
265.0 0.600000
264.0 0.900000
263.0 0.500000
262.0 0.500000
261.0 0.700000
260.0 0.400000
259.0 0.800000
258.0 0.900000
257.0 0.600000
256.0 0.600000
255.0 0.800000
254.0 0.900000
253.0 0.600000
252.0 0.200000
251.0 0.300000
250.0 0.500000
249.0 0.500000
248.0 0.500000
247.0 0.600000
246.0 0.200000
245.0 0.400000
244.0 0.400000
243.0 -0.300000
242.0 -0.400000
241.0 -0.800000
240.0 -1.40000
239.0 -1.40000
238.0 -2.00000
237.0 -2.80000
236.0 -3.40000
235.0 -4.50000
234.0 -5.50000
233.0 -6.60000
232.0 -7.60000
231.0 -9.00000
230.0 -10.2000
229.0 -11.7000
228.0 -12.3000
227.0 -13.6000
226.0 -14.1000
225.0 -15.0000
224.0 -15.1000
223.0 -15.8000
222.0 -15.6000
221.0 -15.5000
220.0 -15.3000
219.0 -15.0000
218.0 -14.9000
217.0 -14.8000
216.0 -14.6000
215.0 -14.1000
214.0 -14.2000
213.0 -14.0000
212.0 -14.3000
211.0 -14.4000
210.0 -14.8000
209.0 -14.7000
208.0 -14.4000
207.0 -13.7000
206.0 -11.9000
205.0 -9.30000
204.0 -6.80000
203.0 -3.10000
202.0 0.600000
201.0 5.10000
200.0 9.40000
199.0 14.6000
198.0 19.9000
197.0 24.4000
196.0 28.5000
195.0 31.3000
194.0 32.8000
193.0 33.7000
192.0 33.9000
191.0 33.1000
190.0 32.0000
189.0 29.6000
188.0 27.0000
187.0 24.5000
186.0 21.7000
185.0 19.4000
184.0 16.5000
183.0 14.9000
182.0 12.9000
181.0 11.7000
180.0 10.4000
179.0 9.10000
178.0 7.80000
177.0 7.10000
176.0 6.30000
175.0 4.90000
##END=

##TITLE=     RAW SAMPLE HT PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE HT PCD
##BLOCK ID=     4
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     1
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     416.900
##LASTX=     175.0
##MAXY=     515.0
##MINY=     392.4
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 416.900
278.0 415.700
277.0 414.600
276.0 413.600
275.0 412.600
274.0 411.600
273.0 410.600
272.0 409.600
271.0 408.700
270.0 407.700
269.0 406.800
268.0 405.900
267.0 405.100
266.0 404.300
265.0 403.500
264.0 402.700
263.0 401.900
262.0 401.200
261.0 400.500
260.0 399.800
259.0 399.200
258.0 398.500
257.0 397.900
256.0 397.400
255.0 396.800
254.0 396.400
253.0 395.900
252.0 395.400
251.0 395.000
250.0 394.600
249.0 394.300
248.0 394.000
247.0 393.700
246.0 393.400
245.0 393.100
244.0 392.900
243.0 392.700
242.0 392.600
241.0 392.500
240.0 392.400
239.0 392.400
238.0 392.500
237.0 392.700
236.0 392.900
235.0 393.300
234.0 393.700
233.0 394.300
232.0 395.100
231.0 396.000
230.0 397.000
229.0 397.900
228.0 398.800
227.0 399.600
226.0 400.400
225.0 401.200
224.0 402.100
223.0 403.000
222.0 403.900
221.0 404.800
220.0 405.800
219.0 406.700
218.0 407.700
217.0 408.700
216.0 409.900
215.0 411.100
214.0 412.500
213.0 414.000
212.0 415.600
211.0 417.500
210.0 419.500
209.0 421.800
208.0 424.400
207.0 427.300
206.0 430.300
205.0 433.700
204.0 437.400
203.0 441.400
202.0 445.800
201.0 450.500
200.0 455.700
199.0 461.400
198.0 467.400
197.0 473.600
196.0 479.500
195.0 484.900
194.0 489.400
193.0 493.100
192.0 495.900
191.0 497.900
190.0 499.000
189.0 499.200
188.0 498.700
187.0 497.600
186.0 496.300
185.0 494.900
184.0 493.700
183.0 492.800
182.0 492.500
181.0 492.800
180.0 493.900
179.0 495.800
178.0 498.700
177.0 502.600
176.0 507.800
175.0 515.000
##END=

##TITLE=     RAW SAMPLE HT PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE HT PCD
##BLOCK ID=     5
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     2
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     416.900
##LASTX=     175.0
##MAXY=     515.3
##MINY=     392.7
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 416.900
278.0 415.900
277.0 414.800
276.0 413.800
275.0 412.900
274.0 411.900
273.0 410.900
272.0 409.900
271.0 409.000
270.0 408.000
269.0 407.100
268.0 406.200
267.0 405.400
266.0 404.600
265.0 403.800
264.0 403.000
263.0 402.200
262.0 401.400
261.0 400.700
260.0 400.100
259.0 399.400
258.0 398.800
257.0 398.200
256.0 397.600
255.0 397.100
254.0 396.600
253.0 396.200
252.0 395.700
251.0 395.300
250.0 394.900
249.0 394.600
248.0 394.200
247.0 394.000
246.0 393.700
245.0 393.400
244.0 393.200
243.0 393.000
242.0 392.900
241.0 392.800
240.0 392.700
239.0 392.800
238.0 392.800
237.0 393.000
236.0 393.200
235.0 393.500
234.0 394.000
233.0 394.600
232.0 395.300
231.0 396.200
230.0 397.200
229.0 398.100
228.0 398.900
227.0 399.700
226.0 400.500
225.0 401.400
224.0 402.200
223.0 403.100
222.0 404.000
221.0 405.000
220.0 405.900
219.0 406.800
218.0 407.800
217.0 408.800
216.0 410.000
215.0 411.200
214.0 412.600
213.0 414.100
212.0 415.800
211.0 417.600
210.0 419.700
209.0 422.000
208.0 424.500
207.0 427.400
206.0 430.500
205.0 433.900
204.0 437.600
203.0 441.700
202.0 446.100
201.0 450.800
200.0 456.100
199.0 461.700
198.0 467.700
197.0 473.900
196.0 479.800
195.0 485.200
194.0 489.700
193.0 493.400
192.0 496.300
191.0 498.300
190.0 499.400
189.0 499.700
188.0 499.200
187.0 498.100
186.0 496.800
185.0 495.500
184.0 494.300
183.0 493.400
182.0 493.100
181.0 493.400
180.0 494.400
179.0 496.300
178.0 499.100
177.0 503.000
176.0 508.200
175.0 515.300
##END=

##TITLE=     RAW SAMPLE HT PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW SAMPLE HT PCD
##BLOCK ID=     6
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     417.000
##LASTX=     175.0
##MAXY=     515.7
##MINY=     393.1
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 417.000
278.0 416.000
277.0 415.000
276.0 414.000
275.0 413.000
274.0 412.000
273.0 411.100
272.0 410.100
271.0 409.100
270.0 408.200
269.0 407.300
268.0 406.400
267.0 405.600
266.0 404.800
265.0 404.000
264.0 403.200
263.0 402.400
262.0 401.700
261.0 401.000
260.0 400.300
259.0 399.700
258.0 399.100
257.0 398.400
256.0 397.900
255.0 397.400
254.0 396.900
253.0 396.400
252.0 396.000
251.0 395.600
250.0 395.200
249.0 394.800
248.0 394.500
247.0 394.300
246.0 394.000
245.0 393.800
244.0 393.500
243.0 393.400
242.0 393.200
241.0 393.100
240.0 393.100
239.0 393.100
238.0 393.200
237.0 393.300
236.0 393.500
235.0 393.800
234.0 394.300
233.0 394.900
232.0 395.600
231.0 396.500
230.0 397.400
229.0 398.300
228.0 399.200
227.0 400.000
226.0 400.800
225.0 401.600
224.0 402.500
223.0 403.300
222.0 404.200
221.0 405.200
220.0 406.100
219.0 407.000
218.0 408.000
217.0 409.100
216.0 410.200
215.0 411.400
214.0 412.800
213.0 414.300
212.0 416.000
211.0 417.800
210.0 419.900
209.0 422.200
208.0 424.800
207.0 427.600
206.0 430.700
205.0 434.100
204.0 437.900
203.0 442.000
202.0 446.400
201.0 451.200
200.0 456.500
199.0 462.100
198.0 468.100
197.0 474.300
196.0 480.300
195.0 485.700
194.0 490.300
193.0 494.000
192.0 496.900
191.0 498.900
190.0 500.000
189.0 500.300
188.0 499.800
187.0 498.700
186.0 497.400
185.0 496.100
184.0 494.900
183.0 494.000
182.0 493.700
181.0 494.000
180.0 495.000
179.0 496.900
178.0 499.700
177.0 503.600
176.0 508.700
175.0 515.700
##END=

##TITLE=     RAW BASELINE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW BASELINE PCD
##BLOCK ID=     7
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     1
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##EXPERIMENTAL TEMPERATURE=     4
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##SAMPLE CELL PATHLENGTH=     0.00063
##DWELL OR AVERAGING TIME=     1
##WAVELENGTH INTERVAL=     1
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.400000
##LASTX=     175.0
##MAXY=     0.5
##MINY=     -1.0
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.400000
278.0 0.400000
277.0 0.200000
276.0 0.500000
275.0 0.200000
274.0 0.200000
273.0 0.00000
272.0 0.100000
271.0 0.100000
270.0 -0.100000
269.0 -0.100000
268.0 0.300000
267.0 -0.100000
266.0 0.00000
265.0 0.100000
264.0 0.00000
263.0 0.00000
262.0 0.100000
261.0 -0.100000
260.0 0.100000
259.0 0.00000
258.0 0.100000
257.0 0.00000
256.0 -0.200000
255.0 -0.100000
254.0 0.00000
253.0 0.00000
252.0 -0.300000
251.0 -0.100000
250.0 -0.100000
249.0 0.00000
248.0 0.200000
247.0 0.00000
246.0 -0.100000
245.0 -0.100000
244.0 0.100000
243.0 -0.100000
242.0 -0.300000
241.0 0.00000
240.0 0.100000
239.0 0.00000
238.0 0.00000
237.0 0.00000
236.0 -0.100000
235.0 -0.300000
234.0 -0.100000
233.0 0.100000
232.0 0.00000
231.0 -0.200000
230.0 0.100000
229.0 -0.100000
228.0 -0.100000
227.0 0.100000
226.0 -0.100000
225.0 0.00000
224.0 0.500000
223.0 -0.300000
222.0 -0.400000
221.0 -0.100000
220.0 0.00000
219.0 0.300000
218.0 -0.100000
217.0 0.300000
216.0 0.00000
215.0 -0.100000
214.0 -0.300000
213.0 -0.400000
212.0 -0.300000
211.0 -0.100000
210.0 -0.200000
209.0 -0.400000
208.0 -0.100000
207.0 0.200000
206.0 -0.700000
205.0 0.00000
204.0 0.100000
203.0 -0.100000
202.0 0.00000
201.0 -0.400000
200.0 -0.200000
199.0 0.100000
198.0 -0.200000
197.0 0.100000
196.0 0.100000
195.0 -0.400000
194.0 -0.200000
193.0 0.200000
192.0 0.00000
191.0 -0.300000
190.0 -0.200000
189.0 0.100000
188.0 -0.300000
187.0 -0.300000
186.0 -0.300000
185.0 -0.400000
184.0 -0.400000
183.0 -0.300000
182.0 -0.600000
181.0 -0.800000
180.0 -0.300000
179.0 -0.500000
178.0 -1.00000
177.0 -0.500000
176.0 -0.700000
175.0 -0.600000
##END=

##TITLE=     RAW BASELINE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW BASELINE PCD
##BLOCK ID=     8
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     2
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##EXPERIMENTAL TEMPERATURE=     4
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##SAMPLE CELL PATHLENGTH=     0.00063
##DWELL OR AVERAGING TIME=     1
##WAVELENGTH INTERVAL=     1
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     -0.100000
##LASTX=     175.0
##MAXY=     1.2
##MINY=     -1.0
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 -0.100000
278.0 0.600000
277.0 0.200000
276.0 0.00000
275.0 1.20000
274.0 0.200000
273.0 -0.300000
272.0 1.20000
271.0 0.100000
270.0 0.100000
269.0 -0.200000
268.0 -0.100000
267.0 0.100000
266.0 -0.200000
265.0 0.700000
264.0 0.200000
263.0 0.100000
262.0 -0.100000
261.0 0.00000
260.0 0.00000
259.0 0.100000
258.0 -0.500000
257.0 0.300000
256.0 -0.300000
255.0 -0.700000
254.0 0.100000
253.0 -0.500000
252.0 0.200000
251.0 -0.200000
250.0 0.500000
249.0 -0.400000
248.0 0.00000
247.0 0.00000
246.0 -0.100000
245.0 0.100000
244.0 0.00000
243.0 -0.500000
242.0 0.100000
241.0 -0.200000
240.0 0.500000
239.0 -0.100000
238.0 0.200000
237.0 0.00000
236.0 0.300000
235.0 -0.300000
234.0 -0.300000
233.0 -0.400000
232.0 0.100000
231.0 0.100000
230.0 -0.100000
229.0 0.00000
228.0 -0.100000
227.0 0.200000
226.0 -0.200000
225.0 -0.400000
224.0 -0.100000
223.0 -0.600000
222.0 0.300000
221.0 0.100000
220.0 -0.100000
219.0 0.00000
218.0 0.00000
217.0 -0.300000
216.0 -0.100000
215.0 -0.300000
214.0 0.200000
213.0 -0.400000
212.0 -0.200000
211.0 0.00000
210.0 -0.100000
209.0 -0.300000
208.0 -0.400000
207.0 -0.200000
206.0 -0.400000
205.0 0.00000
204.0 -0.400000
203.0 -0.600000
202.0 -0.100000
201.0 -0.100000
200.0 -0.100000
199.0 -0.300000
198.0 -0.100000
197.0 0.100000
196.0 0.100000
195.0 -0.200000
194.0 0.100000
193.0 -0.100000
192.0 -0.200000
191.0 0.100000
190.0 0.00000
189.0 -0.200000
188.0 -0.300000
187.0 -0.100000
186.0 -0.300000
185.0 -0.500000
184.0 -0.400000
183.0 -0.300000
182.0 -0.400000
181.0 -0.400000
180.0 -0.400000
179.0 -0.600000
178.0 -0.600000
177.0 -1.00000
176.0 -0.300000
175.0 -0.400000
##END=

##TITLE=     RAW BASELINE PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     RAW BASELINE PCD
##BLOCK ID=     9
##OWNER=     _
##ORIGIN=     _
##REPEAT NUMBER=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##EXPERIMENTAL TEMPERATURE=     4
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##SAMPLE CELL PATHLENGTH=     0.00063
##DWELL OR AVERAGING TIME=     1
##WAVELENGTH INTERVAL=     1
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.600000
##LASTX=     175.0
##MAXY=     1.0
##MINY=     -1.0
##XUNITS=     Nanometers
##YUNITS=     arbitrary
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.600000
278.0 0.400000
277.0 0.200000
276.0 0.00000
275.0 0.300000
274.0 0.200000
273.0 0.200000
272.0 0.300000
271.0 0.200000
270.0 0.100000
269.0 0.300000
268.0 0.700000
267.0 0.100000
266.0 -0.200000
265.0 0.300000
264.0 0.300000
263.0 -0.500000
262.0 -0.200000
261.0 -0.300000
260.0 0.700000
259.0 0.00000
258.0 0.400000
257.0 0.100000
256.0 -0.100000
255.0 -0.100000
254.0 0.300000
253.0 -0.300000
252.0 0.00000
251.0 -0.500000
250.0 0.100000
249.0 0.600000
248.0 -0.600000
247.0 0.100000
246.0 0.300000
245.0 0.100000
244.0 0.00000
243.0 0.00000
242.0 0.400000
241.0 -1.00000
240.0 0.400000
239.0 0.100000
238.0 -0.400000
237.0 1.00000
236.0 0.100000
235.0 -0.300000
234.0 -0.300000
233.0 -0.300000
232.0 -0.100000
231.0 0.300000
230.0 -0.300000
229.0 0.200000
228.0 -0.300000
227.0 -1.00000
226.0 -0.100000
225.0 0.300000
224.0 -1.00000
223.0 -0.300000
222.0 0.100000
221.0 0.400000
220.0 -0.200000
219.0 -0.500000
218.0 -0.600000
217.0 -0.400000
216.0 -0.100000
215.0 -0.300000
214.0 0.100000
213.0 0.200000
212.0 0.400000
211.0 -0.500000
210.0 -0.100000
209.0 0.200000
208.0 -0.300000
207.0 -0.100000
206.0 0.200000
205.0 -0.100000
204.0 -0.100000
203.0 -0.200000
202.0 -0.100000
201.0 0.200000
200.0 -0.200000
199.0 0.700000
198.0 -0.300000
197.0 0.200000
196.0 -0.300000
195.0 0.100000
194.0 0.200000
193.0 0.100000
192.0 -0.100000
191.0 0.00000
190.0 -0.400000
189.0 0.300000
188.0 -0.400000
187.0 -0.500000
186.0 -0.700000
185.0 -0.600000
184.0 -0.500000
183.0 -0.300000
182.0 -0.400000
181.0 -0.100000
180.0 -0.400000
179.0 -0.600000
178.0 -0.400000
177.0 -0.700000
176.0 -0.500000
175.0 -0.700000
##END=

##TITLE=     NET SPECTRUM PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     NET SPECTRUM PCD
##BLOCK ID=     10
##OWNER=     _
##ORIGIN=     _
##NUMBER OF RAW BASELINE REPEATS=		3
##NUMBER OF RAW SAMPLE REPEATS=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.112500
##LASTX=     175.0
##MAXY=     34.2601
##MINY=     -16.6319
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.112500
278.0 -0.220833
277.0 0.0791667
276.0 -0.0605159
275.0 0.0775794
274.0 0.0220238
273.0 0.0426587
272.0 0.166468
271.0 0.171230
270.0 0.169643
269.0 0.193452
268.0 0.182341
267.0 0.0553572
266.0 -0.0906746
265.0 -0.0811508
264.0 -0.122421
263.0 -0.0589286
262.0 -0.0335318
261.0 -0.111310
260.0 -0.158929
259.0 -0.154167
258.0 -0.190675
257.0 -0.00654762
256.0 -0.0160714
255.0 0.112500
254.0 0.107738
253.0 0.0823413
252.0 -0.0938492
251.0 -0.138294
250.0 -0.208135
249.0 -0.189087
248.0 -0.331944
247.0 -0.324008
246.0 -0.420833
245.0 -0.466865
244.0 -0.624008
243.0 -0.706548
242.0 -1.09226
241.0 -1.48115
240.0 -1.83829
239.0 -2.36845
238.0 -3.05575
237.0 -3.57798
236.0 -4.34306
235.0 -5.16052
234.0 -6.03988
233.0 -7.24147
232.0 -8.56528
231.0 -9.95893
230.0 -11.2653
229.0 -12.4415
228.0 -13.4272
227.0 -14.3780
226.0 -15.1415
225.0 -15.7986
224.0 -16.2573
223.0 -16.5510
222.0 -16.6272
221.0 -16.6319
220.0 -16.4272
219.0 -16.0907
218.0 -15.8177
217.0 -15.5018
216.0 -15.2510
215.0 -15.0034
214.0 -14.8764
213.0 -14.8510
212.0 -15.0129
211.0 -15.2161
210.0 -15.3986
209.0 -15.4272
208.0 -15.0685
207.0 -14.0859
206.0 -12.4589
205.0 -10.0827
204.0 -7.05099
203.0 -3.63671
202.0 0.363294
201.0 4.69187
200.0 9.52996
199.0 14.7427
198.0 19.9046
197.0 24.7363
196.0 28.6919
195.0 31.4950
194.0 33.3204
193.0 34.1538
192.0 34.2601
191.0 33.6046
190.0 32.1220
189.0 30.0062
188.0 27.4776
187.0 24.8427
186.0 22.2569
185.0 19.6109
184.0 17.1919
183.0 15.0300
182.0 13.2093
181.0 11.7776
180.0 10.5077
179.0 9.38075
178.0 8.32996
177.0 7.31250
176.0 6.30933
175.0 5.11250
##END=

##TITLE=     AVERAGE BASELINE SPECTRUM PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     AVERAGE BASELINE SPECTRUM PCD
##BLOCK ID=     11
##OWNER=     _
##ORIGIN=     _
##NUMBER OF RAW BASELINE REPEATS=		3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##EXPERIMENTAL TEMPERATURE=     4
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##SAMPLE CELL PATHLENGTH=     0.00063
##DWELL OR AVERAGING TIME=     1
##WAVELENGTH INTERVAL=     1
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.300000
##LASTX=     175.0
##MAXY=     0.466667
##MINY=     -0.642857
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.300000
278.0 0.466667
277.0 0.200000
276.0 0.344444
275.0 0.222222
274.0 0.287302
273.0 0.279365
272.0 0.185714
271.0 0.153968
270.0 0.168254
269.0 0.0809524
268.0 0.0476191
267.0 0.0920635
266.0 0.149206
265.0 0.0952381
264.0 0.103175
263.0 0.00476190
262.0 -0.0746032
261.0 -0.0174603
260.0 0.0507937
259.0 0.112698
258.0 0.0984127
257.0 -0.0888889
256.0 -0.0730159
255.0 -0.134921
254.0 -0.138095
253.0 -0.138095
252.0 -0.0984127
251.0 -0.0793651
250.0 -0.00317461
249.0 -0.00158730
248.0 0.0349206
247.0 -0.0222222
246.0 0.0285714
245.0 0.0126984
244.0 0.0126984
243.0 -0.125397
242.0 -0.100000
241.0 -0.0444444
240.0 -0.0158730
239.0 0.0507937
238.0 0.201587
237.0 0.0682540
236.0 0.0190476
235.0 -0.112698
234.0 -0.244444
233.0 -0.166667
232.0 -0.0603175
231.0 0.00793650
230.0 0.0126984
229.0 -0.0761905
228.0 -0.149206
227.0 -0.134921
226.0 -0.138095
225.0 -0.180952
224.0 -0.200000
223.0 -0.153968
222.0 -0.109524
221.0 -0.00952382
220.0 0.00317460
219.0 -0.111111
218.0 -0.149206
217.0 -0.163492
216.0 -0.134921
215.0 -0.119048
214.0 -0.106349
213.0 -0.119048
212.0 -0.106349
211.0 -0.141270
210.0 -0.169841
209.0 -0.171429
208.0 -0.185714
207.0 -0.176190
206.0 -0.131746
205.0 -0.150794
204.0 -0.179365
203.0 -0.131746
202.0 -0.192063
201.0 -0.0873016
200.0 -0.0587302
199.0 -0.0349206
198.0 0.0158730
197.0 -0.00952381
196.0 -0.0666667
195.0 0.00158730
194.0 -0.0428571
193.0 -0.00793651
192.0 -0.0476191
191.0 -0.0603175
190.0 -0.106349
189.0 -0.131746
188.0 -0.214286
187.0 -0.320635
186.0 -0.460317
185.0 -0.423810
184.0 -0.431746
183.0 -0.414286
182.0 -0.377778
181.0 -0.401587
180.0 -0.471429
179.0 -0.558730
178.0 -0.622222
177.0 -0.641270
176.0 -0.642857
175.0 -0.566667
##END=

##TITLE=     AVERAGE SAMPLE SPECTRUM PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     AVERAGE SAMPLE SPECTRUM PCD
##BLOCK ID=     12
##OWNER=     _
##ORIGIN=     _
##NUMBER OF RAW SAMPLE REPEATS=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##LOWEST WAVELENGTH NM=     175
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     1.06667
##LASTX=     175.0
##MAXY=     34.9333
##MINY=     -16.1667
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 1.06667
278.0 0.900000
277.0 0.933333
276.0 1.00000
275.0 0.900000
274.0 1.00000
273.0 0.933333
272.0 1.03333
271.0 1.00000
270.0 0.966667
269.0 0.900000
268.0 0.966667
267.0 0.733333
266.0 0.766667
265.0 0.600000
264.0 0.633333
263.0 0.700000
262.0 0.466667
261.0 0.566667
260.0 0.433333
259.0 0.700000
258.0 0.633333
257.0 0.533333
256.0 0.400000
255.0 0.700000
254.0 0.766667
253.0 0.566667
252.0 0.333333
251.0 0.500000
250.0 0.400000
249.0 0.566667
248.0 0.300000
247.0 0.333333
246.0 0.133333
245.0 0.300000
244.0 0.133333
243.0 -0.300000
242.0 -0.500000
241.0 -0.866667
240.0 -1.26667
239.0 -1.60000
238.0 -2.16667
237.0 -2.93333
236.0 -3.63333
235.0 -4.56667
234.0 -5.66667
233.0 -6.83333
232.0 -7.86667
231.0 -9.23333
230.0 -10.6667
229.0 -11.9667
228.0 -12.8333
227.0 -13.8667
226.0 -14.6000
225.0 -15.4000
224.0 -15.7000
223.0 -16.1667
222.0 -16.1000
221.0 -15.9000
220.0 -15.8000
219.0 -15.5333
218.0 -15.3333
217.0 -15.0000
216.0 -14.7667
215.0 -14.4333
214.0 -14.3333
213.0 -14.2667
212.0 -14.4667
211.0 -14.6667
210.0 -14.9000
209.0 -14.9667
208.0 -14.5667
207.0 -13.7333
206.0 -12.0000
205.0 -9.46667
204.0 -6.63333
203.0 -3.10000
202.0 0.866667
201.0 5.16667
200.0 10.1000
199.0 15.2333
198.0 20.6000
197.0 25.5333
196.0 29.3000
195.0 32.3000
194.0 33.7667
193.0 34.9333
192.0 34.7667
191.0 34.1667
190.0 32.8667
189.0 30.5333
188.0 27.8333
187.0 25.0667
186.0 22.5000
185.0 19.9667
184.0 17.2667
183.0 15.2333
182.0 13.4667
181.0 12.0667
180.0 10.7333
179.0 9.46667
178.0 8.30000
177.0 7.33333
176.0 6.36667
175.0 5.23333
##END=

##TITLE=     CALIBRATION SPECTRUM PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     CALIBRATION SPECTRUM PCD
##BLOCK ID=     13
##OWNER=     _
##ORIGIN=     _
##CD OR SRCD=     SRCD
##CSA ACS ZEROED AT=     2004-11-10
##CSA ACS EXPERIMENT TEMPERATURE=     25
##CSA ACS RATIO 192 AND 290NM=     1.96
##CD SIGNAL AT 290NM=     34.7
##CSA ACS PATHLENGTH=     0.1
##CSA OR ACS=     CSA
##CSA ACS STANDARD CONCENTRATION=     10.46
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     330.0
##FIRSTY=     -0.200000
##LASTX=     185.0
##MAXY=     34.8
##MINY=     -67.9
##XUNITS=     Nanometers
##YUNITS=     Millidegrees (theta)
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     146
##XYDATA=     (X++(Y..Y))
330.0 -0.200000
329.0 0.00000
328.0 0.500000
327.0 0.400000
326.0 0.100000
325.0 0.200000
324.0 0.00000
323.0 0.00000
322.0 0.400000
321.0 0.500000
320.0 0.500000
319.0 0.700000
318.0 1.60000
317.0 1.60000
316.0 2.70000
315.0 3.50000
314.0 4.10000
313.0 4.80000
312.0 6.10000
311.0 7.50000
310.0 9.40000
309.0 10.8000
308.0 12.5000
307.0 14.2000
306.0 16.5000
305.0 18.0000
304.0 20.0000
303.0 21.8000
302.0 24.0000
301.0 25.7000
300.0 27.4000
299.0 28.6000
298.0 30.0000
297.0 31.5000
296.0 32.3000
295.0 33.4000
294.0 34.1000
293.0 34.4000
292.0 34.8000
291.0 34.8000
290.0 34.4000
289.0 34.1000
288.0 33.9000
287.0 33.3000
286.0 32.4000
285.0 31.6000
284.0 30.5000
283.0 28.9000
282.0 27.4000
281.0 26.6000
280.0 25.3000
279.0 23.7000
278.0 22.3000
277.0 21.0000
276.0 19.4000
275.0 18.0000
274.0 16.9000
273.0 14.9000
272.0 13.9000
271.0 12.9000
270.0 11.9000
269.0 10.4000
268.0 9.80000
267.0 8.60000
266.0 7.60000
265.0 7.00000
264.0 6.20000
263.0 5.60000
262.0 4.90000
261.0 4.10000
260.0 4.00000
259.0 3.10000
258.0 2.90000
257.0 2.40000
256.0 2.00000
255.0 2.10000
254.0 1.80000
253.0 1.20000
252.0 1.20000
251.0 1.10000
250.0 1.00000
249.0 0.800000
248.0 1.00000
247.0 0.400000
246.0 0.700000
245.0 0.600000
244.0 0.300000
243.0 0.300000
242.0 -0.100000
241.0 0.300000
240.0 0.200000
239.0 0.100000
238.0 0.200000
237.0 0.100000
236.0 0.00000
235.0 0.00000
234.0 -0.300000
233.0 -0.200000
232.0 0.00000
231.0 -0.100000
230.0 -0.100000
229.0 -0.200000
228.0 0.00000
227.0 -0.100000
226.0 -0.200000
225.0 -0.400000
224.0 -0.300000
223.0 -0.700000
222.0 -0.800000
221.0 -0.800000
220.0 -1.50000
219.0 -1.80000
218.0 -2.20000
217.0 -2.90000
216.0 -3.40000
215.0 -4.60000
214.0 -5.70000
213.0 -6.90000
212.0 -9.00000
211.0 -10.5000
210.0 -12.9000
209.0 -15.2000
208.0 -17.9000
207.0 -21.2000
206.0 -24.9000
205.0 -28.4000
204.0 -32.3000
203.0 -37.4000
202.0 -41.1000
201.0 -45.4000
200.0 -50.3000
199.0 -53.7000
198.0 -58.5000
197.0 -61.6000
196.0 -64.0000
195.0 -66.3000
194.0 -67.6000
193.0 -67.8000
192.0 -67.9000
191.0 -66.5000
190.0 -64.3000
189.0 -62.6000
188.0 -59.2000
187.0 -57.8000
186.0 -53.9000
185.0 -50.5000
##END=

##TITLE=     FINAL PROCESSED SPECTRUM PCD (protein circular dichroism)
##JCAMP-DX=     5.01
##DATATYPE=     FINAL PROCESSED SPECTRUM PCD
##BLOCK ID=     14
##OWNER=     _
##ORIGIN=     _
##NUMBER OF RAW BASELINE REPEATS=		3
##NUMBER OF RAW SAMPLE REPEATS=     3
##CD OR SRCD=     SRCD
##CRITERIA FOR LOW WAVELENGTH CUTOFF=     HT value
##NUMBER OF RESIDUES=     153
##EXPERIMENTAL TEMPERATURE=     4
##SEQUENCE=     GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLK &
KHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFR &
N DIAAKYKELG FQG
##EXPRESSED AS=     Wild-type
##MEAN RESIDUE WEIGHT=     111.5
##EXPERIMENTAL COLLECTION DATE=     2004-11-10
##PROTEIN NAME=     Myoglobin
##PDB ID=     1ymb
##CSA ACS ZEROED AT=     2004-11-10
##CSA ACS EXPERIMENT TEMPERATURE=     25
##LOWEST WAVELENGTH NM=     175
##CSA ACS RATIO 192 AND 290NM=     1.96
##HIGHEST WAVELENGTH=     279
##SAMPLE CELL PATHLENGTH=     0.00063
##CD SIGNAL AT 290NM=     34.7
##MOLECULAR WEIGHT=     16952
##DWELL OR AVERAGING TIME=     1
##UNIPROT ID=     P68082
##CSA ACS PATHLENGTH=     0.1
##WAVELENGTH RANGE FOR ZEROING=     263-270
##PROTEIN CONCENTRATION=     11.44
##WAVELENGTH INTERVAL=     1
##SOURCE ORGANISM=     Equus caballus (Horse)
##CSA OR ACS=     CSA
##CSA ACS STANDARD CONCENTRATION=     10.46
##INSTRUMENT OR BEAMLINE=     Daresbury 12.1
##FIRSTX=     279.0
##FIRSTY=     0.0539512
##LASTX=     175.0
##MAXY=     16.7458
##MINY=     -8.07831
##XUNITS=     Nanometers
##YUNITS=     Delta Epsilon
##XFACTOR=      1
##YFACTOR=      1
##NPOINTS=     105
##XYDATA=     (X++(Y..Y))
279.0 0.0539512
278.0 -0.105928
277.0 0.0379825
276.0 -0.0290406
275.0 0.0372374
274.0 0.0105735
273.0 0.0204848
272.0 0.0799559
271.0 0.0822613
270.0 0.0815169
269.0 0.0929781
268.0 0.0876572
267.0 0.0266178
266.0 -0.0436094
265.0 -0.0390376
264.0 -0.0589036
263.0 -0.0283601
262.0 -0.0161411
261.0 -0.0535928
260.0 -0.0765370
259.0 -0.0742600
258.0 -0.0918656
257.0 -0.00315528
256.0 -0.00774647
255.0 0.0542373
254.0 0.0519529
253.0 0.0397150
252.0 -0.0452754
251.0 -0.0667315
250.0 -0.100454
249.0 -0.0912808
248.0 -0.160280
247.0 -0.156482
246.0 -0.203289
245.0 -0.225575
244.0 -0.301567
243.0 -0.341532
242.0 -0.528093
241.0 -0.716273
240.0 -0.889179
239.0 -1.14587
238.0 -1.47871
237.0 -1.73180
236.0 -2.10257
235.0 -2.49887
234.0 -2.92532
233.0 -3.50806
232.0 -4.15028
231.0 -4.82662
230.0 -5.46095
229.0 -6.03244
228.0 -6.51179
227.0 -6.97442
226.0 -7.34638
225.0 -7.66687
224.0 -7.89120
223.0 -8.03551
222.0 -8.07427
221.0 -8.07831
220.0 -7.98063
219.0 -7.81885
218.0 -7.68787
217.0 -7.53598
216.0 -7.41567
215.0 -7.29687
214.0 -7.23668
213.0 -7.22589
212.0 -7.30626
211.0 -7.40676
210.0 -7.49723
209.0 -7.51279
208.0 -7.33970
207.0 -6.86258
206.0 -6.07124
205.0 -4.91438
204.0 -3.43745
203.0 -1.77333
202.0 0.177188
201.0 2.28884
200.0 4.65002
199.0 7.19507
198.0 9.71641
197.0 12.0776
196.0 14.0120
195.0 15.3843
194.0 16.2794
193.0 16.6902
192.0 16.7458
191.0 16.4290
190.0 15.7075
189.0 14.6761
188.0 13.4423
187.0 12.1559
186.0 10.8930
185.0 9.60005
184.0 8.41771
183.0 7.36076
182.0 6.47050
181.0 5.77043
180.0 5.14936
179.0 4.59809
178.0 4.08391
177.0 3.58586
176.0 3.09460
175.0 2.50812
##END=
##END=
	  

Format: pcdXML
<?xml version="1.0" encoding="UTF-8"?>
<pcddb>
  <metadata>
    <spectrumMeta>
      <rawSampleUnits>Millidegrees (theta)</rawSampleUnits>
      <rawBaselineUnits>Millidegrees (theta)</rawBaselineUnits>
      <smoothedUnits>Millidegrees (theta)</smoothedUnits>
      <finalProcessedUnits>Delta Epsilon</finalProcessedUnits>
      <averageSampleUnits>Millidegrees (theta)</averageSampleUnits>
      <averageBaselineUnits>Millidegrees (theta)</averageBaselineUnits>
    </spectrumMeta>
    <sampleMeta>
      <proteinName>Myoglobin</proteinName>
      <sourceOrganism>Equus caballus (Horse)</sourceOrganism>
      <sampleType>Wild-type</sampleType>
    </sampleMeta>
    <calibrationMeta>
      <concentration>10.46</concentration>
      <pathlength>0.1</pathlength>
      <date>2004-11-10</date>
      <ratio>1.96</ratio>
      <molarEllipticityAt285nm>34.7</molarEllipticityAt285nm>
      <temperature>25</temperature>
      <units>Millidegrees (theta)</units>
      <type>CSA</type>
    </calibrationMeta>
    <experimentMeta>
      <concentration>11.44</concentration>
      <temperature>4</temperature>
      <cellPathlength>0.00063</cellPathlength>
      <lowCutoffCriteria>HT value</lowCutoffCriteria>
      <numberOfRepeatScans>3</numberOfRepeatScans>
      <maxWavelength>279</maxWavelength>
      <minWavelength>175</minWavelength>
      <wavelengthInterval>1</wavelengthInterval>
      <dwellTime>1</dwellTime>
      <instrumentDetails>Daresbury 12.1</instrumentDetails>
      <experimentType>SRCD</experimentType>
      <date>2004-11-10</date>
    </experimentMeta>
    <tertiaryMeta>
      <uniprotID>P68082</uniprotID>
      <pdbID>1ymb</pdbID>
      <sequence>GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLKKHGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGA MTKALELFRN DIAAKYKELG FQG</sequence>
    </tertiaryMeta>
    <dataProcessingMeta>
      <molecularWeight>16952</molecularWeight>
      <meanResidueWeight>111.5</meanResidueWeight>
      <residues>153</residues>
      <rangeForZeroing>263-270</rangeForZeroing>
    </dataProcessingMeta>
  </metadata>
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      <wavelength value="263.0" cd="9.00000E-01" ht="4.02200E+02" />
      <wavelength value="262.0" cd="7.00000E-01" ht="4.01400E+02" />
      <wavelength value="261.0" cd="4.00000E-01" ht="4.00700E+02" />
      <wavelength value="260.0" cd="6.00000E-01" ht="4.00100E+02" />
      <wavelength value="259.0" cd="6.00000E-01" ht="3.99400E+02" />
      <wavelength value="258.0" cd="6.00000E-01" ht="3.98800E+02" />
      <wavelength value="257.0" cd="7.00000E-01" ht="3.98200E+02" />
      <wavelength value="256.0" cd="4.00000E-01" ht="3.97600E+02" />
      <wavelength value="255.0" cd="7.00000E-01" ht="3.97100E+02" />
      <wavelength value="254.0" cd="6.00000E-01" ht="3.96600E+02" />
      <wavelength value="253.0" cd="6.00000E-01" ht="3.96200E+02" />
      <wavelength value="252.0" cd="6.00000E-01" ht="3.95700E+02" />
      <wavelength value="251.0" cd="6.00000E-01" ht="3.95300E+02" />
      <wavelength value="250.0" cd="4.00000E-01" ht="3.94900E+02" />
      <wavelength value="249.0" cd="7.00000E-01" ht="3.94600E+02" />
      <wavelength value="248.0" cd="2.00000E-01" ht="3.94200E+02" />
      <wavelength value="247.0" cd="3.00000E-01" ht="3.94000E+02" />
      <wavelength value="246.0" cd="2.00000E-01" ht="3.93700E+02" />
      <wavelength value="245.0" cd="3.00000E-01" ht="3.93400E+02" />
      <wavelength value="244.0" cd="0.00000E+00" ht="3.93200E+02" />
      <wavelength value="243.0" cd="-1.00000E-01" ht="3.93000E+02" />
      <wavelength value="242.0" cd="-5.00000E-01" ht="3.92900E+02" />
      <wavelength value="241.0" cd="-9.00000E-01" ht="3.92800E+02" />
      <wavelength value="240.0" cd="-1.20000E+00" ht="3.92700E+02" />
      <wavelength value="239.0" cd="-1.80000E+00" ht="3.92800E+02" />
      <wavelength value="238.0" cd="-2.20000E+00" ht="3.92800E+02" />
      <wavelength value="237.0" cd="-3.00000E+00" ht="3.93000E+02" />
      <wavelength value="236.0" cd="-3.80000E+00" ht="3.93200E+02" />
      <wavelength value="235.0" cd="-4.70000E+00" ht="3.93500E+02" />
      <wavelength value="234.0" cd="-5.80000E+00" ht="3.94000E+02" />
      <wavelength value="233.0" cd="-6.90000E+00" ht="3.94600E+02" />
      <wavelength value="232.0" cd="-7.90000E+00" ht="3.95300E+02" />
      <wavelength value="231.0" cd="-9.10000E+00" ht="3.96200E+02" />
      <wavelength value="230.0" cd="-1.07000E+01" ht="3.97200E+02" />
      <wavelength value="229.0" cd="-1.19000E+01" ht="3.98100E+02" />
      <wavelength value="228.0" cd="-1.30000E+01" ht="3.98900E+02" />
      <wavelength value="227.0" cd="-1.38000E+01" ht="3.99700E+02" />
      <wavelength value="226.0" cd="-1.47000E+01" ht="4.00500E+02" />
      <wavelength value="225.0" cd="-1.55000E+01" ht="4.01400E+02" />
      <wavelength value="224.0" cd="-1.57000E+01" ht="4.02200E+02" />
      <wavelength value="223.0" cd="-1.61000E+01" ht="4.03100E+02" />
      <wavelength value="222.0" cd="-1.62000E+01" ht="4.04000E+02" />
      <wavelength value="221.0" cd="-1.60000E+01" ht="4.05000E+02" />
      <wavelength value="220.0" cd="-1.59000E+01" ht="4.05900E+02" />
      <wavelength value="219.0" cd="-1.55000E+01" ht="4.06800E+02" />
      <wavelength value="218.0" cd="-1.53000E+01" ht="4.07800E+02" />
      <wavelength value="217.0" cd="-1.48000E+01" ht="4.08800E+02" />
      <wavelength value="216.0" cd="-1.47000E+01" ht="4.10000E+02" />
      <wavelength value="215.0" cd="-1.46000E+01" ht="4.11200E+02" />
      <wavelength value="214.0" cd="-1.42000E+01" ht="4.12600E+02" />
      <wavelength value="213.0" cd="-1.41000E+01" ht="4.14100E+02" />
      <wavelength value="212.0" cd="-1.44000E+01" ht="4.15800E+02" />
      <wavelength value="211.0" cd="-1.47000E+01" ht="4.17600E+02" />
      <wavelength value="210.0" cd="-1.48000E+01" ht="4.19700E+02" />
      <wavelength value="209.0" cd="-1.51000E+01" ht="4.22000E+02" />
      <wavelength value="208.0" cd="-1.46000E+01" ht="4.24500E+02" />
      <wavelength value="207.0" cd="-1.34000E+01" ht="4.27400E+02" />
      <wavelength value="206.0" cd="-1.20000E+01" ht="4.30500E+02" />
      <wavelength value="205.0" cd="-9.50000E+00" ht="4.33900E+02" />
      <wavelength value="204.0" cd="-6.60000E+00" ht="4.37600E+02" />
      <wavelength value="203.0" cd="-3.30000E+00" ht="4.41700E+02" />
      <wavelength value="202.0" cd="7.00000E-01" ht="4.46100E+02" />
      <wavelength value="201.0" cd="5.00000E+00" ht="4.50800E+02" />
      <wavelength value="200.0" cd="9.90000E+00" ht="4.56100E+02" />
      <wavelength value="199.0" cd="1.52000E+01" ht="4.61700E+02" />
      <wavelength value="198.0" cd="2.04000E+01" ht="4.67700E+02" />
      <wavelength value="197.0" cd="2.58000E+01" ht="4.73900E+02" />
      <wavelength value="196.0" cd="2.94000E+01" ht="4.79800E+02" />
      <wavelength value="195.0" cd="3.22000E+01" ht="4.85200E+02" />
      <wavelength value="194.0" cd="3.38000E+01" ht="4.89700E+02" />
      <wavelength value="193.0" cd="3.52000E+01" ht="4.93400E+02" />
      <wavelength value="192.0" cd="3.48000E+01" ht="4.96300E+02" />
      <wavelength value="191.0" cd="3.43000E+01" ht="4.98300E+02" />
      <wavelength value="190.0" cd="3.31000E+01" ht="4.99400E+02" />
      <wavelength value="189.0" cd="3.06000E+01" ht="4.99700E+02" />
      <wavelength value="188.0" cd="2.77000E+01" ht="4.99200E+02" />
      <wavelength value="187.0" cd="2.50000E+01" ht="4.98100E+02" />
      <wavelength value="186.0" cd="2.26000E+01" ht="4.96800E+02" />
      <wavelength value="185.0" cd="1.99000E+01" ht="4.95500E+02" />
      <wavelength value="184.0" cd="1.74000E+01" ht="4.94300E+02" />
      <wavelength value="183.0" cd="1.53000E+01" ht="4.93400E+02" />
      <wavelength value="182.0" cd="1.37000E+01" ht="4.93100E+02" />
      <wavelength value="181.0" cd="1.19000E+01" ht="4.93400E+02" />
      <wavelength value="180.0" cd="1.07000E+01" ht="4.94400E+02" />
      <wavelength value="179.0" cd="9.60000E+00" ht="4.96300E+02" />
      <wavelength value="178.0" cd="8.40000E+00" ht="4.99100E+02" />
      <wavelength value="177.0" cd="7.30000E+00" ht="5.03000E+02" />
      <wavelength value="176.0" cd="6.60000E+00" ht="5.08200E+02" />
      <wavelength value="175.0" cd="5.20000E+00" ht="5.15300E+02" />
    </spectrum>
    <spectrum id="raw 3" cdUnits="Millidegrees (theta)">
      <wavelength value="279.0" cd="9.00000E-01" ht="4.17000E+02" />
      <wavelength value="278.0" cd="6.00000E-01" ht="4.16000E+02" />
      <wavelength value="277.0" cd="1.10000E+00" ht="4.15000E+02" />
      <wavelength value="276.0" cd="7.00000E-01" ht="4.14000E+02" />
      <wavelength value="275.0" cd="1.10000E+00" ht="4.13000E+02" />
      <wavelength value="274.0" cd="9.00000E-01" ht="4.12000E+02" />
      <wavelength value="273.0" cd="9.00000E-01" ht="4.11100E+02" />
      <wavelength value="272.0" cd="1.10000E+00" ht="4.10100E+02" />
      <wavelength value="271.0" cd="1.10000E+00" ht="4.09100E+02" />
      <wavelength value="270.0" cd="8.00000E-01" ht="4.08200E+02" />
      <wavelength value="269.0" cd="9.00000E-01" ht="4.07300E+02" />
      <wavelength value="268.0" cd="1.30000E+00" ht="4.06400E+02" />
      <wavelength value="267.0" cd="7.00000E-01" ht="4.05600E+02" />
      <wavelength value="266.0" cd="1.00000E+00" ht="4.04800E+02" />
      <wavelength value="265.0" cd="6.00000E-01" ht="4.04000E+02" />
      <wavelength value="264.0" cd="9.00000E-01" ht="4.03200E+02" />
      <wavelength value="263.0" cd="5.00000E-01" ht="4.02400E+02" />
      <wavelength value="262.0" cd="5.00000E-01" ht="4.01700E+02" />
      <wavelength value="261.0" cd="7.00000E-01" ht="4.01000E+02" />
      <wavelength value="260.0" cd="4.00000E-01" ht="4.00300E+02" />
      <wavelength value="259.0" cd="8.00000E-01" ht="3.99700E+02" />
      <wavelength value="258.0" cd="9.00000E-01" ht="3.99100E+02" />
      <wavelength value="257.0" cd="6.00000E-01" ht="3.98400E+02" />
      <wavelength value="256.0" cd="6.00000E-01" ht="3.97900E+02" />
      <wavelength value="255.0" cd="8.00000E-01" ht="3.97400E+02" />
      <wavelength value="254.0" cd="9.00000E-01" ht="3.96900E+02" />
      <wavelength value="253.0" cd="6.00000E-01" ht="3.96400E+02" />
      <wavelength value="252.0" cd="2.00000E-01" ht="3.96000E+02" />
      <wavelength value="251.0" cd="3.00000E-01" ht="3.95600E+02" />
      <wavelength value="250.0" cd="5.00000E-01" ht="3.95200E+02" />
      <wavelength value="249.0" cd="5.00000E-01" ht="3.94800E+02" />
      <wavelength value="248.0" cd="5.00000E-01" ht="3.94500E+02" />
      <wavelength value="247.0" cd="6.00000E-01" ht="3.94300E+02" />
      <wavelength value="246.0" cd="2.00000E-01" ht="3.94000E+02" />
      <wavelength value="245.0" cd="4.00000E-01" ht="3.93800E+02" />
      <wavelength value="244.0" cd="4.00000E-01" ht="3.93500E+02" />
      <wavelength value="243.0" cd="-3.00000E-01" ht="3.93400E+02" />
      <wavelength value="242.0" cd="-4.00000E-01" ht="3.93200E+02" />
      <wavelength value="241.0" cd="-8.00000E-01" ht="3.93100E+02" />
      <wavelength value="240.0" cd="-1.40000E+00" ht="3.93100E+02" />
      <wavelength value="239.0" cd="-1.40000E+00" ht="3.93100E+02" />
      <wavelength value="238.0" cd="-2.00000E+00" ht="3.93200E+02" />
      <wavelength value="237.0" cd="-2.80000E+00" ht="3.93300E+02" />
      <wavelength value="236.0" cd="-3.40000E+00" ht="3.93500E+02" />
      <wavelength value="235.0" cd="-4.50000E+00" ht="3.93800E+02" />
      <wavelength value="234.0" cd="-5.50000E+00" ht="3.94300E+02" />
      <wavelength value="233.0" cd="-6.60000E+00" ht="3.94900E+02" />
      <wavelength value="232.0" cd="-7.60000E+00" ht="3.95600E+02" />
      <wavelength value="231.0" cd="-9.00000E+00" ht="3.96500E+02" />
      <wavelength value="230.0" cd="-1.02000E+01" ht="3.97400E+02" />
      <wavelength value="229.0" cd="-1.17000E+01" ht="3.98300E+02" />
      <wavelength value="228.0" cd="-1.23000E+01" ht="3.99200E+02" />
      <wavelength value="227.0" cd="-1.36000E+01" ht="4.00000E+02" />
      <wavelength value="226.0" cd="-1.41000E+01" ht="4.00800E+02" />
      <wavelength value="225.0" cd="-1.50000E+01" ht="4.01600E+02" />
      <wavelength value="224.0" cd="-1.51000E+01" ht="4.02500E+02" />
      <wavelength value="223.0" cd="-1.58000E+01" ht="4.03300E+02" />
      <wavelength value="222.0" cd="-1.56000E+01" ht="4.04200E+02" />
      <wavelength value="221.0" cd="-1.55000E+01" ht="4.05200E+02" />
      <wavelength value="220.0" cd="-1.53000E+01" ht="4.06100E+02" />
      <wavelength value="219.0" cd="-1.50000E+01" ht="4.07000E+02" />
      <wavelength value="218.0" cd="-1.49000E+01" ht="4.08000E+02" />
      <wavelength value="217.0" cd="-1.48000E+01" ht="4.09100E+02" />
      <wavelength value="216.0" cd="-1.46000E+01" ht="4.10200E+02" />
      <wavelength value="215.0" cd="-1.41000E+01" ht="4.11400E+02" />
      <wavelength value="214.0" cd="-1.42000E+01" ht="4.12800E+02" />
      <wavelength value="213.0" cd="-1.40000E+01" ht="4.14300E+02" />
      <wavelength value="212.0" cd="-1.43000E+01" ht="4.16000E+02" />
      <wavelength value="211.0" cd="-1.44000E+01" ht="4.17800E+02" />
      <wavelength value="210.0" cd="-1.48000E+01" ht="4.19900E+02" />
      <wavelength value="209.0" cd="-1.47000E+01" ht="4.22200E+02" />
      <wavelength value="208.0" cd="-1.44000E+01" ht="4.24800E+02" />
      <wavelength value="207.0" cd="-1.37000E+01" ht="4.27600E+02" />
      <wavelength value="206.0" cd="-1.19000E+01" ht="4.30700E+02" />
      <wavelength value="205.0" cd="-9.30000E+00" ht="4.34100E+02" />
      <wavelength value="204.0" cd="-6.80000E+00" ht="4.37900E+02" />
      <wavelength value="203.0" cd="-3.10000E+00" ht="4.42000E+02" />
      <wavelength value="202.0" cd="6.00000E-01" ht="4.46400E+02" />
      <wavelength value="201.0" cd="5.10000E+00" ht="4.51200E+02" />
      <wavelength value="200.0" cd="9.40000E+00" ht="4.56500E+02" />
      <wavelength value="199.0" cd="1.46000E+01" ht="4.62100E+02" />
      <wavelength value="198.0" cd="1.99000E+01" ht="4.68100E+02" />
      <wavelength value="197.0" cd="2.44000E+01" ht="4.74300E+02" />
      <wavelength value="196.0" cd="2.85000E+01" ht="4.80300E+02" />
      <wavelength value="195.0" cd="3.13000E+01" ht="4.85700E+02" />
      <wavelength value="194.0" cd="3.28000E+01" ht="4.90300E+02" />
      <wavelength value="193.0" cd="3.37000E+01" ht="4.94000E+02" />
      <wavelength value="192.0" cd="3.39000E+01" ht="4.96900E+02" />
      <wavelength value="191.0" cd="3.31000E+01" ht="4.98900E+02" />
      <wavelength value="190.0" cd="3.20000E+01" ht="5.00000E+02" />
      <wavelength value="189.0" cd="2.96000E+01" ht="5.00300E+02" />
      <wavelength value="188.0" cd="2.70000E+01" ht="4.99800E+02" />
      <wavelength value="187.0" cd="2.45000E+01" ht="4.98700E+02" />
      <wavelength value="186.0" cd="2.17000E+01" ht="4.97400E+02" />
      <wavelength value="185.0" cd="1.94000E+01" ht="4.96100E+02" />
      <wavelength value="184.0" cd="1.65000E+01" ht="4.94900E+02" />
      <wavelength value="183.0" cd="1.49000E+01" ht="4.94000E+02" />
      <wavelength value="182.0" cd="1.29000E+01" ht="4.93700E+02" />
      <wavelength value="181.0" cd="1.17000E+01" ht="4.94000E+02" />
      <wavelength value="180.0" cd="1.04000E+01" ht="4.95000E+02" />
      <wavelength value="179.0" cd="9.10000E+00" ht="4.96900E+02" />
      <wavelength value="178.0" cd="7.80000E+00" ht="4.99700E+02" />
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      <wavelength value="274.0" cd="2.00000E-01" />
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      <wavelength value="272.0" cd="1.00000E-01" />
      <wavelength value="271.0" cd="1.00000E-01" />
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      <wavelength value="269.0" cd="-1.00000E-01" />
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      <wavelength value="271.0" cd="1.00000E+00" />
      <wavelength value="270.0" cd="9.66667E-01" />
      <wavelength value="269.0" cd="9.00000E-01" />
      <wavelength value="268.0" cd="9.66667E-01" />
      <wavelength value="267.0" cd="7.33333E-01" />
      <wavelength value="266.0" cd="7.66667E-01" />
      <wavelength value="265.0" cd="6.00000E-01" />
      <wavelength value="264.0" cd="6.33333E-01" />
      <wavelength value="263.0" cd="7.00000E-01" />
      <wavelength value="262.0" cd="4.66667E-01" />
      <wavelength value="261.0" cd="5.66667E-01" />
      <wavelength value="260.0" cd="4.33333E-01" />
      <wavelength value="259.0" cd="7.00000E-01" />
      <wavelength value="258.0" cd="6.33333E-01" />
      <wavelength value="257.0" cd="5.33333E-01" />
      <wavelength value="256.0" cd="4.00000E-01" />
      <wavelength value="255.0" cd="7.00000E-01" />
      <wavelength value="254.0" cd="7.66667E-01" />
      <wavelength value="253.0" cd="5.66667E-01" />
      <wavelength value="252.0" cd="3.33333E-01" />
      <wavelength value="251.0" cd="5.00000E-01" />
      <wavelength value="250.0" cd="4.00000E-01" />
      <wavelength value="249.0" cd="5.66667E-01" />
      <wavelength value="248.0" cd="3.00000E-01" />
      <wavelength value="247.0" cd="3.33333E-01" />
      <wavelength value="246.0" cd="1.33333E-01" />
      <wavelength value="245.0" cd="3.00000E-01" />
      <wavelength value="244.0" cd="1.33333E-01" />
      <wavelength value="243.0" cd="-3.00000E-01" />
      <wavelength value="242.0" cd="-5.00000E-01" />
      <wavelength value="241.0" cd="-8.66667E-01" />
      <wavelength value="240.0" cd="-1.26667E+00" />
      <wavelength value="239.0" cd="-1.60000E+00" />
      <wavelength value="238.0" cd="-2.16667E+00" />
      <wavelength value="237.0" cd="-2.93333E+00" />
      <wavelength value="236.0" cd="-3.63333E+00" />
      <wavelength value="235.0" cd="-4.56667E+00" />
      <wavelength value="234.0" cd="-5.66667E+00" />
      <wavelength value="233.0" cd="-6.83333E+00" />
      <wavelength value="232.0" cd="-7.86667E+00" />
      <wavelength value="231.0" cd="-9.23333E+00" />
      <wavelength value="230.0" cd="-1.06667E+01" />
      <wavelength value="229.0" cd="-1.19667E+01" />
      <wavelength value="228.0" cd="-1.28333E+01" />
      <wavelength value="227.0" cd="-1.38667E+01" />
      <wavelength value="226.0" cd="-1.46000E+01" />
      <wavelength value="225.0" cd="-1.54000E+01" />
      <wavelength value="224.0" cd="-1.57000E+01" />
      <wavelength value="223.0" cd="-1.61667E+01" />
      <wavelength value="222.0" cd="-1.61000E+01" />
      <wavelength value="221.0" cd="-1.59000E+01" />
      <wavelength value="220.0" cd="-1.58000E+01" />
      <wavelength value="219.0" cd="-1.55333E+01" />
      <wavelength value="218.0" cd="-1.53333E+01" />
      <wavelength value="217.0" cd="-1.50000E+01" />
      <wavelength value="216.0" cd="-1.47667E+01" />
      <wavelength value="215.0" cd="-1.44333E+01" />
      <wavelength value="214.0" cd="-1.43333E+01" />
      <wavelength value="213.0" cd="-1.42667E+01" />
      <wavelength value="212.0" cd="-1.44667E+01" />
      <wavelength value="211.0" cd="-1.46667E+01" />
      <wavelength value="210.0" cd="-1.49000E+01" />
      <wavelength value="209.0" cd="-1.49667E+01" />
      <wavelength value="208.0" cd="-1.45667E+01" />
      <wavelength value="207.0" cd="-1.37333E+01" />
      <wavelength value="206.0" cd="-1.20000E+01" />
      <wavelength value="205.0" cd="-9.46667E+00" />
      <wavelength value="204.0" cd="-6.63333E+00" />
      <wavelength value="203.0" cd="-3.10000E+00" />
      <wavelength value="202.0" cd="8.66667E-01" />
      <wavelength value="201.0" cd="5.16667E+00" />
      <wavelength value="200.0" cd="1.01000E+01" />
      <wavelength value="199.0" cd="1.52333E+01" />
      <wavelength value="198.0" cd="2.06000E+01" />
      <wavelength value="197.0" cd="2.55333E+01" />
      <wavelength value="196.0" cd="2.93000E+01" />
      <wavelength value="195.0" cd="3.23000E+01" />
      <wavelength value="194.0" cd="3.37667E+01" />
      <wavelength value="193.0" cd="3.49333E+01" />
      <wavelength value="192.0" cd="3.47667E+01" />
      <wavelength value="191.0" cd="3.41667E+01" />
      <wavelength value="190.0" cd="3.28667E+01" />
      <wavelength value="189.0" cd="3.05333E+01" />
      <wavelength value="188.0" cd="2.78333E+01" />
      <wavelength value="187.0" cd="2.50667E+01" />
      <wavelength value="186.0" cd="2.25000E+01" />
      <wavelength value="185.0" cd="1.99667E+01" />
      <wavelength value="184.0" cd="1.72667E+01" />
      <wavelength value="183.0" cd="1.52333E+01" />
      <wavelength value="182.0" cd="1.34667E+01" />
      <wavelength value="181.0" cd="1.20667E+01" />
      <wavelength value="180.0" cd="1.07333E+01" />
      <wavelength value="179.0" cd="9.46667E+00" />
      <wavelength value="178.0" cd="8.30000E+00" />
      <wavelength value="177.0" cd="7.33333E+00" />
      <wavelength value="176.0" cd="6.36667E+00" />
      <wavelength value="175.0" cd="5.23333E+00" />
    </spectrum>
    <spectrum id="smoothed" cdUnits="Millidegrees (theta)">
      <wavelength value="279.0" cd="1.12500E-01" />
      <wavelength value="278.0" cd="-2.20833E-01" />
      <wavelength value="277.0" cd="7.91667E-02" />
      <wavelength value="276.0" cd="-6.05159E-02" />
      <wavelength value="275.0" cd="7.75794E-02" />
      <wavelength value="274.0" cd="2.20238E-02" />
      <wavelength value="273.0" cd="4.26587E-02" />
      <wavelength value="272.0" cd="1.66468E-01" />
      <wavelength value="271.0" cd="1.71230E-01" />
      <wavelength value="270.0" cd="1.69643E-01" />
      <wavelength value="269.0" cd="1.93452E-01" />
      <wavelength value="268.0" cd="1.82341E-01" />
      <wavelength value="267.0" cd="5.53572E-02" />
      <wavelength value="266.0" cd="-9.06746E-02" />
      <wavelength value="265.0" cd="-8.11508E-02" />
      <wavelength value="264.0" cd="-1.22421E-01" />
      <wavelength value="263.0" cd="-5.89286E-02" />
      <wavelength value="262.0" cd="-3.35318E-02" />
      <wavelength value="261.0" cd="-1.11310E-01" />
      <wavelength value="260.0" cd="-1.58929E-01" />
      <wavelength value="259.0" cd="-1.54167E-01" />
      <wavelength value="258.0" cd="-1.90675E-01" />
      <wavelength value="257.0" cd="-6.54762E-03" />
      <wavelength value="256.0" cd="-1.60714E-02" />
      <wavelength value="255.0" cd="1.12500E-01" />
      <wavelength value="254.0" cd="1.07738E-01" />
      <wavelength value="253.0" cd="8.23413E-02" />
      <wavelength value="252.0" cd="-9.38492E-02" />
      <wavelength value="251.0" cd="-1.38294E-01" />
      <wavelength value="250.0" cd="-2.08135E-01" />
      <wavelength value="249.0" cd="-1.89087E-01" />
      <wavelength value="248.0" cd="-3.31944E-01" />
      <wavelength value="247.0" cd="-3.24008E-01" />
      <wavelength value="246.0" cd="-4.20833E-01" />
      <wavelength value="245.0" cd="-4.66865E-01" />
      <wavelength value="244.0" cd="-6.24008E-01" />
      <wavelength value="243.0" cd="-7.06548E-01" />
      <wavelength value="242.0" cd="-1.09226E+00" />
      <wavelength value="241.0" cd="-1.48115E+00" />
      <wavelength value="240.0" cd="-1.83829E+00" />
      <wavelength value="239.0" cd="-2.36845E+00" />
      <wavelength value="238.0" cd="-3.05575E+00" />
      <wavelength value="237.0" cd="-3.57798E+00" />
      <wavelength value="236.0" cd="-4.34306E+00" />
      <wavelength value="235.0" cd="-5.16052E+00" />
      <wavelength value="234.0" cd="-6.03988E+00" />
      <wavelength value="233.0" cd="-7.24147E+00" />
      <wavelength value="232.0" cd="-8.56528E+00" />
      <wavelength value="231.0" cd="-9.95893E+00" />
      <wavelength value="230.0" cd="-1.12653E+01" />
      <wavelength value="229.0" cd="-1.24415E+01" />
      <wavelength value="228.0" cd="-1.34272E+01" />
      <wavelength value="227.0" cd="-1.43780E+01" />
      <wavelength value="226.0" cd="-1.51415E+01" />
      <wavelength value="225.0" cd="-1.57986E+01" />
      <wavelength value="224.0" cd="-1.62573E+01" />
      <wavelength value="223.0" cd="-1.65510E+01" />
      <wavelength value="222.0" cd="-1.66272E+01" />
      <wavelength value="221.0" cd="-1.66319E+01" />
      <wavelength value="220.0" cd="-1.64272E+01" />
      <wavelength value="219.0" cd="-1.60907E+01" />
      <wavelength value="218.0" cd="-1.58177E+01" />
      <wavelength value="217.0" cd="-1.55018E+01" />
      <wavelength value="216.0" cd="-1.52510E+01" />
      <wavelength value="215.0" cd="-1.50034E+01" />
      <wavelength value="214.0" cd="-1.48764E+01" />
      <wavelength value="213.0" cd="-1.48510E+01" />
      <wavelength value="212.0" cd="-1.50129E+01" />
      <wavelength value="211.0" cd="-1.52161E+01" />
      <wavelength value="210.0" cd="-1.53986E+01" />
      <wavelength value="209.0" cd="-1.54272E+01" />
      <wavelength value="208.0" cd="-1.50685E+01" />
      <wavelength value="207.0" cd="-1.40859E+01" />
      <wavelength value="206.0" cd="-1.24589E+01" />
      <wavelength value="205.0" cd="-1.00827E+01" />
      <wavelength value="204.0" cd="-7.05099E+00" />
      <wavelength value="203.0" cd="-3.63671E+00" />
      <wavelength value="202.0" cd="3.63294E-01" />
      <wavelength value="201.0" cd="4.69187E+00" />
      <wavelength value="200.0" cd="9.52996E+00" />
      <wavelength value="199.0" cd="1.47427E+01" />
      <wavelength value="198.0" cd="1.99046E+01" />
      <wavelength value="197.0" cd="2.47363E+01" />
      <wavelength value="196.0" cd="2.86919E+01" />
      <wavelength value="195.0" cd="3.14950E+01" />
      <wavelength value="194.0" cd="3.33204E+01" />
      <wavelength value="193.0" cd="3.41538E+01" />
      <wavelength value="192.0" cd="3.42601E+01" />
      <wavelength value="191.0" cd="3.36046E+01" />
      <wavelength value="190.0" cd="3.21220E+01" />
      <wavelength value="189.0" cd="3.00062E+01" />
      <wavelength value="188.0" cd="2.74776E+01" />
      <wavelength value="187.0" cd="2.48427E+01" />
      <wavelength value="186.0" cd="2.22569E+01" />
      <wavelength value="185.0" cd="1.96109E+01" />
      <wavelength value="184.0" cd="1.71919E+01" />
      <wavelength value="183.0" cd="1.50300E+01" />
      <wavelength value="182.0" cd="1.32093E+01" />
      <wavelength value="181.0" cd="1.17776E+01" />
      <wavelength value="180.0" cd="1.05077E+01" />
      <wavelength value="179.0" cd="9.38075E+00" />
      <wavelength value="178.0" cd="8.32996E+00" />
      <wavelength value="177.0" cd="7.31250E+00" />
      <wavelength value="176.0" cd="6.30933E+00" />
      <wavelength value="175.0" cd="5.11250E+00" />
    </spectrum>
    <spectrum id="processed" cdUnits="Delta Epsilon">
      <wavelength value="279.0" cd="5.39512E-02" />
      <wavelength value="278.0" cd="-1.05928E-01" />
      <wavelength value="277.0" cd="3.79825E-02" />
      <wavelength value="276.0" cd="-2.90406E-02" />
      <wavelength value="275.0" cd="3.72374E-02" />
      <wavelength value="274.0" cd="1.05735E-02" />
      <wavelength value="273.0" cd="2.04848E-02" />
      <wavelength value="272.0" cd="7.99559E-02" />
      <wavelength value="271.0" cd="8.22613E-02" />
      <wavelength value="270.0" cd="8.15169E-02" />
      <wavelength value="269.0" cd="9.29781E-02" />
      <wavelength value="268.0" cd="8.76572E-02" />
      <wavelength value="267.0" cd="2.66178E-02" />
      <wavelength value="266.0" cd="-4.36094E-02" />
      <wavelength value="265.0" cd="-3.90376E-02" />
      <wavelength value="264.0" cd="-5.89036E-02" />
      <wavelength value="263.0" cd="-2.83601E-02" />
      <wavelength value="262.0" cd="-1.61411E-02" />
      <wavelength value="261.0" cd="-5.35928E-02" />
      <wavelength value="260.0" cd="-7.65370E-02" />
      <wavelength value="259.0" cd="-7.42600E-02" />
      <wavelength value="258.0" cd="-9.18656E-02" />
      <wavelength value="257.0" cd="-3.15528E-03" />
      <wavelength value="256.0" cd="-7.74647E-03" />
      <wavelength value="255.0" cd="5.42373E-02" />
      <wavelength value="254.0" cd="5.19529E-02" />
      <wavelength value="253.0" cd="3.97150E-02" />
      <wavelength value="252.0" cd="-4.52754E-02" />
      <wavelength value="251.0" cd="-6.67315E-02" />
      <wavelength value="250.0" cd="-1.00454E-01" />
      <wavelength value="249.0" cd="-9.12808E-02" />
      <wavelength value="248.0" cd="-1.60280E-01" />
      <wavelength value="247.0" cd="-1.56482E-01" />
      <wavelength value="246.0" cd="-2.03289E-01" />
      <wavelength value="245.0" cd="-2.25575E-01" />
      <wavelength value="244.0" cd="-3.01567E-01" />
      <wavelength value="243.0" cd="-3.41532E-01" />
      <wavelength value="242.0" cd="-5.28093E-01" />
      <wavelength value="241.0" cd="-7.16273E-01" />
      <wavelength value="240.0" cd="-8.89179E-01" />
      <wavelength value="239.0" cd="-1.14587E+00" />
      <wavelength value="238.0" cd="-1.47871E+00" />
      <wavelength value="237.0" cd="-1.73180E+00" />
      <wavelength value="236.0" cd="-2.10257E+00" />
      <wavelength value="235.0" cd="-2.49887E+00" />
      <wavelength value="234.0" cd="-2.92532E+00" />
      <wavelength value="233.0" cd="-3.50806E+00" />
      <wavelength value="232.0" cd="-4.15028E+00" />
      <wavelength value="231.0" cd="-4.82662E+00" />
      <wavelength value="230.0" cd="-5.46095E+00" />
      <wavelength value="229.0" cd="-6.03244E+00" />
      <wavelength value="228.0" cd="-6.51179E+00" />
      <wavelength value="227.0" cd="-6.97442E+00" />
      <wavelength value="226.0" cd="-7.34638E+00" />
      <wavelength value="225.0" cd="-7.66687E+00" />
      <wavelength value="224.0" cd="-7.89120E+00" />
      <wavelength value="223.0" cd="-8.03551E+00" />
      <wavelength value="222.0" cd="-8.07427E+00" />
      <wavelength value="221.0" cd="-8.07831E+00" />
      <wavelength value="220.0" cd="-7.98063E+00" />
      <wavelength value="219.0" cd="-7.81885E+00" />
      <wavelength value="218.0" cd="-7.68787E+00" />
      <wavelength value="217.0" cd="-7.53598E+00" />
      <wavelength value="216.0" cd="-7.41567E+00" />
      <wavelength value="215.0" cd="-7.29687E+00" />
      <wavelength value="214.0" cd="-7.23668E+00" />
      <wavelength value="213.0" cd="-7.22589E+00" />
      <wavelength value="212.0" cd="-7.30626E+00" />
      <wavelength value="211.0" cd="-7.40676E+00" />
      <wavelength value="210.0" cd="-7.49723E+00" />
      <wavelength value="209.0" cd="-7.51279E+00" />
      <wavelength value="208.0" cd="-7.33970E+00" />
      <wavelength value="207.0" cd="-6.86258E+00" />
      <wavelength value="206.0" cd="-6.07124E+00" />
      <wavelength value="205.0" cd="-4.91438E+00" />
      <wavelength value="204.0" cd="-3.43745E+00" />
      <wavelength value="203.0" cd="-1.77333E+00" />
      <wavelength value="202.0" cd="1.77188E-01" />
      <wavelength value="201.0" cd="2.28884E+00" />
      <wavelength value="200.0" cd="4.65002E+00" />
      <wavelength value="199.0" cd="7.19507E+00" />
      <wavelength value="198.0" cd="9.71641E+00" />
      <wavelength value="197.0" cd="1.20776E+01" />
      <wavelength value="196.0" cd="1.40120E+01" />
      <wavelength value="195.0" cd="1.53843E+01" />
      <wavelength value="194.0" cd="1.62794E+01" />
      <wavelength value="193.0" cd="1.66902E+01" />
      <wavelength value="192.0" cd="1.67458E+01" />
      <wavelength value="191.0" cd="1.64290E+01" />
      <wavelength value="190.0" cd="1.57075E+01" />
      <wavelength value="189.0" cd="1.46761E+01" />
      <wavelength value="188.0" cd="1.34423E+01" />
      <wavelength value="187.0" cd="1.21559E+01" />
      <wavelength value="186.0" cd="1.08930E+01" />
      <wavelength value="185.0" cd="9.60005E+00" />
      <wavelength value="184.0" cd="8.41771E+00" />
      <wavelength value="183.0" cd="7.36076E+00" />
      <wavelength value="182.0" cd="6.47050E+00" />
      <wavelength value="181.0" cd="5.77043E+00" />
      <wavelength value="180.0" cd="5.14936E+00" />
      <wavelength value="179.0" cd="4.59809E+00" />
      <wavelength value="178.0" cd="4.08391E+00" />
      <wavelength value="177.0" cd="3.58586E+00" />
      <wavelength value="176.0" cd="3.09460E+00" />
      <wavelength value="175.0" cd="2.50812E+00" />
    </spectrum>
  </spectra>
</pcddb>

	  

Format: Jasco
TITLE	WT-TTR. Gdn Unfold. 990710
DATA TYPE	
ORIGIN	JASCO
OWNER	
DATE	100/01/11
TIME	15:35:13
SPECTROMETER/DATA SYSTEM	
RESOLUTION	
DELTAX	-0.5
XUNITS	
YUNITS	
1.00000
1.00000
FIRSTX	430.0000
LASTX	200.0000
NPOINTS	461
FIRSTY	461
MAXY	-0.00034
MINY	-0.01373
430.0000	-0.00120637
429.5000	-0.00120218
429.0000	-0.00120289
428.5000	-0.00120646
428.0000	-0.00120236
	  

Format: Olis
OLIS-3D-ASCII	1	2
180	-26.0649827790012	-27.897219214000
181	-28.8962140970697	-27.6789923459622
182	-27.7851290214981	-29.876780612834
183	-28.1294867934212	-34.8759061499861
184	-32.908321249-878	-33.8760684806234
185	-34.2341598990071	-32.8075678061242
186	-35.0045318752322	-33.8069109789656
187	-42.0972398098142	-43.7241511515623
188	-39.2323156108026	-46.987234861072
189	-38.4457629907002	-35.0968138909676
190	-39.9862152899273	-43.9068996783249
191	-38.9023646399321	-38.2179869521023
192	-43.8076102039790	-34.1749868966892
193	-43.3729899762412	-33.9863493418079
194	-38.0871248971234	-32.8076234068952
195	-37.9068912340090	-35.14089614-9864
196	-34.2341598990071	-32.8075678061242
197	-35.0045318752322	-33.8069109789656
198	-42.0972398098142	-43.7241511515623
199	-39.2323156108026	-46.987234861072	  

Format: Aviv1
data_name b030600b.001
_date_  08-16-1998
_time_  13:12:18
_software_ AVIV 60DS  V4.1i
_raw_data_
_hardware_tc_ 1
_fs_range_ 500.000002
_fs_cal_ 100.000000
_gain_factor_ 5.000000
_err_strngncy_ 3
_error_filter_  10
_srvo_strngncy_ 4
_n_points  426
x_decr
x_unit nanometers
y_unit millidegrees
_y_type_   millidegrees
oplevel 1.005 uAx2
_slit_mode_ _constant_bandwidth_
bandwidth 1.50 nm
_temperature_ 10.6 C
_x_range   195.00 to 280.00 nanometers
scan_step 0.20 nm
_avg_time_ 1.0 s
_data_
280.00 -2.757
279.80 -2.350
279.60 -2.761
279.40 -2.278
279.20 -2.130
data_end_
	  

Format: Aviv2
$SUMMARY
Experiment Type : Wavelength
Experiment Name : asduy125367, Number : 3
Experiment Description : Test Air scans
Software Version : v2.86
Experiment start time : 07/13/2001  11:53:49
Bandwidth        :  1.00 nm
Temp. Setpoint   : 25.00 deg C
Wavelength Start : 300.00 nm
Wavelength End   : 190.00 nm
Wavelength Step  :  0.20 nm
Averaging Time   : 1.000 seconds
Settling Time    : 0.333 seconds
Multi-Scan Wait  :  0.00 seconds

$DATA
$MDCNAME:Scan_#1
$MDCDATA:1:14:4
X  CD_Signal  CD_Error  CD_Dynode
300.00000 -0.21965   0.16917    519.31128 
299.80002 0.21442    0.07990    519.43567 
299.60004 -0.11110   0.15595    519.51086 
$ENDDATA

$CONFIGURATION
$EXPNAME:te16e1b1 #2
$NDATAPOINTS:551
$VERSION:v2.86
$EXTYPE:1
$EXNAME:te16e1b1
$EXDESC:Test Air scans
$EXNUMBER:3
$CDDC:1.005000
$CDHV:280.000000
$FLHV:75.000000
$QCHV:0.000000
$MONOWL:300.000000
$MONOBW:1.000000
$MONOSW:0.037738
$TEMPSP:25.000000
$TEMPDB:0.100000
$TEMPSYROFF:0.000000
$TEMPRATE:1.000000
$TEMPET:0.500000
$WLSTART:300.000000
$WLEND:190.000000
$WLEVERY:0.200000
$WLFILTER:0.333000
$WLREPEATS:1077936128
$WLWAIT:0.000000
$WLRATE:9424149698020466200000000000000000.000000
$WLCONTINSCAN:1
$WLCSETTIME:0.000000
$WLCSTEPTIME:0.000000
$KINSTART:0.000000
$KINEND:60.000000
$KININTERVAL:1.000000
$KINTC:0.500000
$KINROTLOOPTIME:0.000000
$TEMPSTART:25.000000
$TEMPEND:30.000000
$TEMPSTEP:1.000000
$AVETIME:1.000000
$TEMPREVERSESCAN:0
$TEMPHOLDTIME
$TEMPRETURN:1
$CONCINITTITRANT:0         
$CONCSYRTITRANT:0.1       
$CONCINITSAMPLE:1e-006    
$CONCSYRSAMPLE:1e-006    
$CONCCELLVOL:1.800000
$CONCTARGET0:0         
$CONCTARGET1:0         
$CONCTARGET2:0         
$CONCSTEP0:0         
$CONCSTEP1:0         
$CONCSTEP2:0         
$CONCINCREASEVOL:1
$CONCCELLMAX:2.800000
$CONCCELLMIN:0.000000
$CONCSTIRTIME:0.500000
$PHEND:8.000000
$PHINTERVAL:0.500000
$PHSTIRTIME:0.500000
$PHMAXVOL:1800.000000
$PHDB:0.010000
$PHINCREASE:1.000000
$PHCELLVOL:1800.000000
$PHINITSYR:0         
$PHINITCELL:1e-006    
$FLAVETIME:0.500000
$FLWL:0.000000
$STIRVALUE:0
$STIRDURING:0
$STIRDELAYTIME:0.100000
$ROTENABLE:1
$ROTSTIRTIME:0.100000
$ROTDESC1:
$ROTDESC2:
$ROTDESC3:
$ROTDESC4:
$ROTDESC5:
$SAVEBITS:73
$STRINGENCY:4
$ERRORLEVEL:3
$ABSORB:3.500000
$DSPATH:D:\AVIV\bob
$PMTMODE:1
$QCCORRECT:0
$AUTOSLIT:1
$ECOUNT:100
$COLLECT:1
$STDDEVLIM:1.000000
$ABSERROR:1.000000
$DABSERROR:1.000000
$MDY:5:16:2001
$HMS:11:53:49
$SYRTVOL0:500.000000
$SYRTVOL1:500.000000
$TSYRDESC1:
$TSYRDESC2:
$CDOFFSET:0.000000
$COLORTABLE:0:255:13:13
$COLORTABLE:1:128:255:255
$COLORTABLE:2:255:255:255
$ENDCONFIGURATION	  
	  

Format: AvivC
data_name te16e1b1
_software CDS
_raw_data
_n_points 551
x_unit nanometers
y_units yvalues
_x_range 190.00 to 300.00 nanometers
scan_step   0.20
_avg_time
notes: Test Air scans
bandwidth 1.00 nm
_temperature  25.00 C
_data_
  300.00000      -0.21965
  299.80002       0.21442
  299.60004       -0.1111
  299.40005       0.21396
_data_end_
	  

Format: BP
FILENAME = r15506.DAT
SAMPLE = header                                    VERSION = 1
DATE OF SPECTRUM= xxxxxxxxx    DATE DIGITIZED = DD-MMM-YY   TIME= HH:MM:SS
              xxxxxx
NOTE:  Note 1
NOTE:  Note 2

        LOW LAMBDA (nm)     HIGH LAMBDA (nm)    # OF POINTS         DELTA X
        180.000             320.009               141                 0.0

        CONC (mg/ml)        PATHLENGTH (cm)     SCALE (Deg)         MEAN RES MW
        0.000E+00             0.000                0.000               0.000

        TIME CONST (s)      SCAN SPEED(nm/min)  DETECTOR POSITION   # SCANS
           0.00                0.00                    0.00           0


                                  DATAPOINTS

                     LAMBDA         Y DATA          ST. DEV.           O.D.
                    180.000          0.000          0.000                 1.595
                    180.995          0.000          0.000                 1.604
                    181.995          0.000          0.000                 1.600
                    182.995          0.000          0.000                 1.605
                    183.995          0.000          0.000                 1.608
	  

Format: bp2
FILENAME = r15482m.bp             
SAMPLE = mb      VERSION =             
DATE OF SPECTRUM= 
              
NOTE:        
NOTE:        

        LOW LAMBDA (nm)     HIGH LAMBDA (nm)    # OF POINTS         DELTA X
         160.0               260.0                 501                 0.0

        CONC (mg/ml)        PATHLENGTH (cm)     SCALE (Deg)         MEAN RES MW
        0.000E+00             0.000                0.000               0.000

        TIME CONST (s)      SCAN SPEED(nm/min)  DETECTOR POSITION   # SCANS
           0.00                0.00   0.00           08

               DATAPOINTS

  LAMBDA         Y DATA          ST. DEV.           O.D.
   160.000         -24667.189      0.000          0.000       
   160.200         -25615.926      0.000          0.000       
   160.400         -26564.664      0.000          0.000  
	  

Format: isa
 ;Start wavelength (nm)         260
 ;End wavelength (nm)           180
 ;Wavelength step (nm)          1
 ;Num. of completed scans       1
 ;Num. of points                81
 ;Num. of avg. per point        15
 ;Time between reads            2.6945
 ;Lock-in Time constant         0.1
 ;Lock-in sensitivity           0.05
 ;Lock-in Phase                 -140
 ;Grating                       LEG
 ;  Comments:
 ;  Sample: NaChBac WT
 ;  Cell type: 121A110
 ;  330-170nm 1nm 2s 20-85-20C , 5C step , 3min eq
 ;Lambda        CD/mdeg         Y_Comp./mdeg    DC_Bias         Servo_Volts     Z_Motor         Beam_current    temperature     Absorbance      Time
 260.000        0.324           8.7436E-02      5.5412E+0       2.8129E+0       -5.2688         139.50          75.27           3.174           16:17:25 
 259.000        0.420           8.7436E-02      5.5416E+0       2.8159E+0       -5.3534         139.45          75.27           3.163           16:17:28 
 258.000        0.131           8.7436E-02      5.5419E+0       2.8184E+0       -5.4379         139.46          75.20           3.161           16:17:30 
	  

Format: pi-star
APL-ASCII
INFO>cp_wl_260nm_tp_0_tm_0
401
180	2.4709
180.2	2.22522
180.4	2.87064
180.6	2.15995
180.8	2.49179
181	2.31626
181.2	2.12375
181.4	3.16002
181.6	2.94755
181.8	2.30081
182	3.04887
182.2	3.37706
182.4	3.55362
182.6	3.12996
182.8	3.71721
183	3.82553

180
-11.4777
260
10.0038
Wavelength (nm)
CD
	  

Format: 2-column

Two tab separated columns.
First column: wavelength in nanometers.
Second column: CD signal. (or high tension voltage if file is entered in that field)

250.0     1.10000E+00
249.0     8.00000E-01
248.0     9.00000E-01
247.0     6.00000E-01
246.0     5.00000E-01
245.0     7.00000E-01
244.0     4.00000E-01
243.0     5.00000E-01
242.0     6.00000E-01
241.0     3.00000E-01
240.0     3.00000E-01
239.0     1.00000E-01
238.0     2.00000E-01
237.0     1.00000E-01
236.0     3.00000E-01
235.0     3.00000E-01
234.0     2.00000E-01
233.0     0.00000E+00
232.0     1.00000E-01
231.0     0.00000E+00
230.0     1.00000E-01  

Format: 3-column

Three tab separated columns.
First column: wavelength in nanometers.
Second column: CD signal.
Third column High Tension Voltage (Ht)

279.0     9.27279E-02      3.87000E+02  
278.0     9.27395E-02      3.86200E+02  
277.0     6.42125E-02      3.85400E+02  
276.0     2.34456E-02      3.84600E+02  
275.0     7.51031E-02      3.83900E+02  
274.0     1.19976E-01      3.83200E+02  
273.0     1.19991E-01      3.82600E+02  
272.0     4.11352E-02      3.81900E+02 
271.0    -1.05401E-02      3.81300E+02  
270.0    -3.09441E-02      3.80700E+02  
269.0    -1.05427E-02      3.80100E+02  
268.0     4.38767E-02      3.79500E+02
267.0     1.66684E-02      3.78900E+02
266.0    -1.59901E-02      3.78400E+02
265.0    -2.82413E-02      3.77900E+02 
264.0    -4.32180E-02      3.77400E+02 
263.0    -2.41642E-02      3.76900E+02 
262.0     5.88864E-02      3.76400E+02 
261.0     5.48086E-02      3.76000E+02 
260.0     2.34924E-02      3.75600E+02 
259.0    -1.87281E-02      3.75200E+02