Advertisement

GC Data Visualization

Discussions about chromatography data systems, LIMS, controllers, computer issues and related topics.

8 posts Page 1 of 1
Is there any way to evaluate my GC chromatograms at home. Until now, I intigrate the peaks and take a screenshot.

Stupidly, I sometimes notice, you could do better with the integration and then have to wait again 1 week until I get to the device.

For tips, I would be happy, work with a PerkinElmer GC clarus 500 + software and got the result data in .raw files.
For tips, I would be happy, work with a PerkinElmer GC clarus 500 + software and got the result data in .raw files.
Do you mean you want to store the results of your integration back to the raw files in the same format as the original software? So that you could import it back to the PerkinElmer system?
Software Engineer at elsci.io (my contact: stanislav.bashkyrtsev@elsci.io)
For tips, I would be happy, work with a PerkinElmer GC clarus 500 + software and got the result data in .raw files.
Do you mean you want to store the results of your integration back to the raw files in the same format as the original software? So that you could import it back to the PerkinElmer system?
No, I want to open the saved .raw data at home and reintegrate the peaks there in case I made a mistake in the lab.

The problem seems to be that I need exactly the software that came with the GC device to process the data. I hope I am wrong and there are other programs?

Right now I'm taking a screenshot of the integral, and I think it's important to mention that I'm integrating manually and not relying on the software.
Other software can support reading raw files (we can certainly take a look at it in Peaksel if you want), but it's possible that they will use different units and algorithms, so the results may differ. Usually the biggest difference is in how they detect peak boundaries, but even for manual integration there potentially could be differences (some software may employ Trapezoids to calculate area, others may use Simpson's rule), though I'd be surprised if the differences were large.

Overall I'd be cautious comparing results between different software.
Software Engineer at elsci.io (my contact: stanislav.bashkyrtsev@elsci.io)
Maybe have a look on OpenChrom by Lablicate: http://www.openchrom.net
It may work for your purpose, if you're free to choose the software.
But you may need to reprocess all your data, as I wouldn't mix integration from multiple softwares.
Other software can support reading raw files (we can certainly take a look at it in Peaksel if you want), but it's possible that they will use different units and algorithms, so the results may differ. Usually the biggest difference is in how they detect peak boundaries, but even for manual integration there potentially could be differences (some software may employ Trapezoids to calculate area, others may use Simpson's rule), though I'd be surprised if the differences were large.

Overall I'd be cautious comparing results between different software.
Thank you, the Software looks nice, maybe I give this a try...
Maybe have a look on OpenChrom by Lablicate: http://www.openchrom.net
It may work for your purpose, if you're free to choose the software.
But you may need to reprocess all your data, as I wouldn't mix integration from multiple softwares.
Thank you very much! With this program I can view and zoom into the .raw files, that is great and exactly what I need.
Our UniChrom provides data processing for free
Download:
https://www.unichrom.com/chrom/ucdle.php

List of file formats supported:
https://www.unichrom.com/chrom/uc-ffe.shtml

Spreadsheet reporting in very innovative way:
https://www.unichrom.com/calc/calce.shtml
8 posts Page 1 of 1

Who is online

In total there is 1 user online :: 0 registered, 0 hidden and 1 guest (based on users active over the past 5 minutes)
Most users ever online was 1117 on Mon Jan 31, 2022 2:50 pm

Users browsing this forum: No registered users and 1 guest

Latest Blog Posts from Separation Science

Separation Science offers free learning from the experts covering methods, applications, webinars, eSeminars, videos, tutorials for users of liquid chromatography, gas chromatography, mass spectrometry, sample preparation and related analytical techniques.

Subscribe to our eNewsletter with daily, weekly or monthly updates: Food & Beverage, Environmental, (Bio)Pharmaceutical, Bioclinical, Liquid Chromatography, Gas Chromatography and Mass Spectrometry.

Liquid Chromatography

Gas Chromatography

Mass Spectrometry