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evanyeyeye / rainbow

Read chromatography and mass spectrometry binary files.
GNU General Public License v3.0
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Scaling data issue for Agilent 7890A GC FID #15

Closed denisshragin closed 4 months ago

denisshragin commented 5 months ago

When trying to get a .csv file from the FID1A.ch file for GC-FID Agilent 7890A a get only 341 data points in the output.csv file, however the csv file exported with Agilent software (FID data) had 21084 rows. Software GC Chemstation B.04.02 SP1.

This issue may be the same as in #13.

Two files with an example are here: https://drive.google.com/drive/folders/1pMSbtQUYjCvHe4gsaDTn1Qcsu0bGqNS7?usp=sharing

ekwan commented 5 months ago

Thanks! Please include the entire .D folder.

denisshragin commented 5 months ago

The entire .D folder is added.

ekwan commented 5 months ago

Thanks! We'll try to take a look next week.

ekwan commented 5 months ago

What was wrong?

JMarvi3 commented 5 months ago

Rainbow was reading a certain number of absorbances instead of reading to the end of the file. There is a new version on PyPi. Let me know if this fixes your issue or if it needs further attention.

denisshragin commented 4 months ago

For the moment I can confirm that a number of retention times match the number of times generated by the Agilent software. I need perform several tests for the signals intensities. I will take a look today or this week.

But I have a small question: Is data obtained via Rainbow library are platform independent? (I get my chromatograms on Windows and I try to process them with MacOS 64 bits )

Thanks you for you support! I

ekwan commented 4 months ago

Yes, it should be platform independent.

On Tue, Apr 16, 2024 at 5:45 AM denisshragin @.***> wrote:

For the moment I can confirm that a number of retention times match the number of times generated by the Agilent software. I need perform several tests for the signals intensities. I will take a look today or this week.

But I have a small question: Is data obtained via Rainbow library are platform independent? (I get my chromatograms on Windows and I try to process them with MacOS 64 bits )

Thanks you for you support! I

— Reply to this email directly, view it on GitHub https://github.com/evanyeyeye/rainbow/issues/15#issuecomment-2059006753, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABOBNITJM5FWOWI6S6KX5ADY5UMOZAVCNFSM6AAAAABFR3AWUWVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDANJZGAYDMNZVGM . You are receiving this because you commented.Message ID: @.***>

denisshragin commented 4 months ago

I have tested the new version of rainbow with several files, and I can confirm that the signal intensities are the same as with Agilent export. There are a tiny differences in the retention times but this not affect the area calculations. The sum of all these differences (three 21084 rows of data) is about only 0.0034 s. Thank you very much for your great work!