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R packages for Agilent GC data?

Posted: Wed Jul 15, 2015 6:32 am
by StephenZ
Hi all,

I'm a postgrad zoology student needing to do some GC looking at pheromones. I'm using an Agilent 6890N, and I'm completely new the world of GC.

Are there any R packages that are useful for managing, visualising, and analysing Agilent GC data? I've looked around a bit but everything seems to be for GC-MS. I've had a go at writing my own script that runs through all my .D folders and puts it all into a single data frame, but so far my mediocre R skills are failing me.

As I said, I'm brand new to all this, so any tips are appreciated.

Cheers,
Stephen

Re: R packages for Agilent GC data?

Posted: Wed Jul 15, 2015 10:10 am
by carlo.annaratone
I am not aware of any packages doing what you need. I can think that GC-FID data is simpler, and already well managed by the manufacturer software, so no need for custom scripts

Re: R packages for Agilent GC data?

Posted: Wed Jul 15, 2015 10:48 am
by eselmeister
HI folks,

you can use OpenChrom to view, edit and export your ChemStation GC/FID files:
You can download OpenChrom and unpack it also to your desktop directly. Please use 7zip. The Windows packer is not working sufficiently.

> 32-bit:
http://sourceforge.net/projects/openchr ... 0_prev.zip

> 64-bit:
http://sourceforge.net/projects/openchr ... 0_prev.zip

> 7zip:
http://www.7-zip.org

Please download the ChemStation MSD and FID converter from the marketplace:
https://wiki.openchrom.net/index.php/Op ... arketplace

Then you can open the FID files in the "CSD Perspective" or import the files to *.ocb or *.xy format via the Import menu option.