UV Data Conversion


JCAMP File Creation Information
Unfortunately, the Perkin-Elmer UV-Winlab software (v5.1.5) used to collect data from these instruments does not output the data automatically in JCAMP format. You can output the data as an ASCII file in electronic format in the following manner. Start the program as usual and select the task containing the desired spectrum. Select the Results page, then right click on the spectrum in the display (on the spectrum itself, not in the white space around the spectrum). A menu will appear, select Save as ASC from the list. When the Windows File Save dialog box appears, select the desired folder and an appropriate filename. Open the saved ASCII textfile with either Notepad or WordPad. You will note there is a header block containing all of the instrument/software parameters (but unfortunately without annotations); the data itself starts with the label #DATA, and runs with one wavelength/absorption pair on each line from long wavelength to short wavelength. The data should be copied into a new textfile for the next step.

You will need to manually create a JCAMP format file by adding the lines in the file UV-JCAMPheaderAdds.txt (available in the file downloads section below), which includes the required JCAMP file fields, as well as additional fields to add both operator and detailed sample preparation information. Make sure to change the value in the fields ##FIRSTX, ##LASTX, and ##FIRSTY to reflect the data in the datafile. You need to change the value for the ##NPOINTS to reflect the number of X,Y data pairs in the datafile. This can be done easily by reading your data into Notepad. Make sure under Format that Word wrap is unchecked. Put the cursor on the last line of the data file, select Edit and GoTo; a dialog box will appear that tells you the number of the line your cursor are at in the datafile.

Creating an HTML file to Load the JCAMP-DX File into JSpecView
You now need to create an html file that opens the newly created JCAMP file in the JSpecView applet. Copy the UV-JSpecViewTemplate.htm template file (located in the file downloads section below) and rename it for the molecule of interest (UV-MA####.htm, where MA#### is the ID number of the matrix). Edit the html title and header tags to include the name of the compound and add the appropriate JCAMP filename in the three JSpecView load calls in the html template using WordPad or Notepad. Upload both the .htm and JCAMP-DX file to the JSpecView folder on the showme server (http://showme.physics.drexel.edu/owens/JSpecView) using the WinSCP v3.82 program. Add the .htm file to the wiki page and be sure to test the spectral display.

File Downloads