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Empower & UV spectra identification
Posted: Mon Nov 16, 2009 8:15 am
by kvaak
I have tried to develope a processing method which is based on UV spectral identification. By this I mean, that my chromatogram is having around 80 peaks, and they can be devided in 5 classes (5 different type of compounds). Is there any possibilities to do a processing method, which identifies these compounds on the basis of their UV spectra.
I did the spectral library, and I can check one peak at the time, that which class it belongs. BUT I can not make a report, where I can see these library matches.
Posted: Mon Nov 16, 2009 11:19 am
by aceto_81
If you make a PDA processing method, you have the ability to check each peak against a library.
If you have a match, this match is returned in the peak table in review.
Ace
Posted: Wed Nov 18, 2009 5:04 pm
by benW
Ace is right, you can create a PDA Processing method to process your data and match against your stored libraries. The easiest way is create the processing method using the processing method wizard, selecting PDA method type and selecting the libraries your wish to compare against. (it appears you have already done this...?)
To report your results, create a report method. The easiest way for a qick report is to right click a results channel created using the PDA processing method and take into preview/ publisher, do not open a report method. In report editor, create a new PDA report using the wizard.. and / or drag in or out any tables.
Example Tables:
Expand Tables > select PDA Results Table
Add and remove fields by right clicking the table and selecting Table Prorperties
Example fields
Expand PDA Peaks:
PDA/FLR Match# Angle
PDA/FLR Match# Threshold
PDA/FLR Match# Spect. Name
Expand Peaks:
Match_Criteria (gives Pass/Fail)
Hope this helps,
Ben