I have a series of data captured by means of a analog to digital board, and that is in plain ASCII. I need to get useful chromatographic data out of it. So far I import the files into Libreoffice and do background substraction and integration there, but is very laborious.
You may try OpenChrom (NOT OpenChrome). I tried it once though I didn't like it.
Openchrom does not support single channel data like FID for the moment, only MS data, pity.
Take a look at PeakSimple: http://www.srigc.com/PeakSimple.htm
-freeware
-can save data binary (.chr) or as ascii (.asc) files. It should not be to difficult to convert the data you have into their asc format. Once you know the routine cast it into a small program. Lazarus is very handy for this job. Its a opensource pascal IDE. I use it frequently for similar tasks, all the window stuff like dialog and menu boxes are available as objects.
what type of detector do you have ?
if it is a MS detector, you should try MZmine2 (google is going to be your friend to find it). Very efficient to transform LC-MS data to peaklist with peak area.
may be a little bit complicated at the begining but it offer a complete control on the parametters.
If you need to process only data xy, CHROMuLAN is a good choice.
Dear Samuel. The detector is an atomic fluorescence device (PSA). Peaks are wide and quite noisy, so some kind of smoothing is needed.
Dear Daniel,
I have worked with the atomic fluorescence device from PSA some years ago connected to a GC. I transformed the signal with an ADC from Varian and used the same chromatography software from Varian in order to process the signal. Which one do you use? what is your AD board brand?
So far we have been using PSA´s SAMS and SAMS calc to do peak integration. We capture serial data with no AD conversion.
I have never used SAMS. Can you export your results to .cdf (AIA) format? Most GC and HPLC software can import data with this file extension and therefore you could use a chormatography software to do peak integration.
It export to csv, nothing else. That is why I need to find a software with ascii import capabilities.
Perhaps you can do something with Unichrom? I have it installed in my PC, but do not use it. It can import .csv files. http://www.unichrom.com/
- Badges
- Science method