OpenChrom Batch Process Help

[HeyhoTobi]

Hallo guys,
I am very new to OpenChrom, but I need a tool to automatically analyze my GC-MS data, because it´s a huge amount.
Therefore, I found this program and created a batch process:

But the problem is that if I put too many samples to process the memory of 2GB gets filled up very fast - so how to change that? tried with a openchrom.ini file, but didn´t work.
And the more important thing is that after the batch process I only get a .csv file with only the titles but no data (especially area for specific substances).

Would be very nice if you could help me, thanks a lot!
Best, Tobi

[eselmeister]

Basically, it's the correct choice to increase the available RAM for OpenChrom to better handle large files. Did you switch the -Xmx setting from default 2 GB:

-Xmx2g

to e.g. 6 GB:

-Xmx6g

OpenChrom must be shutdown before changing the setting.

[HeyhoTobi]

Already played around manually and found my way to go to automate it.

Well I focus mostly on aldehydes and ketones in food matrices and use 6 standards + found some other substances of interest. so I created a template for the peak detection with retention times and same for integration.
So in the end mostly interested in Substance + Area.

[eselmeister]

Do you also want to apply an external calibration?

[HeyhoTobi]

I plan to process the .csv files from openchrom (substances + areas) with a python script for quantification, etc.

[eselmeister]

Have a look, we also offer a quantitation add-on:
https://lablicate.com/marketplace/extensions/quantitation

It's free for students/PhDs. An it can be incorporated in the batch process. Let me know if I shall help you to set it up.

[HeyhoTobi]

Ok, thanks a lot! I will definitely give it a try! ;)