OpenChrom / openchrom

Visualization and Analysis of mass spectrometric and chromatographic data.
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Importing .wiff files produces really weird chromatograms #82

Open the-lion-codes opened 4 years ago

the-lion-codes commented 4 years ago

When I imported a .wiff file, the produced chromatogram was really strange. There were three issues.

Firstly, the more minor issue is that the chromatogram does not scale and I end up with something that looks like this. image

Secondly, I think there is some corruption of data as some of the data more or less disappeared, seen in the discontinuous graph below. image

Finally, additional peaks appeared that are not present when viewed using PeakView or SeeMS. This is probably the most important issue...

Hope this can be fixed!

eselmeister commented 4 years ago

Could you send me some test file?

Please contact me via: https://lablicate.com/about/contact

Best, Philip

Am 09.09.20 um 16:34 schrieb SaplingToss:

When I imported a .wiff file, the produced chromatogram was really strange. There were three issues.

Firstly, the more minor issue is that the chromatogram does not scale and I end up with something that looks like this. image https://user-images.githubusercontent.com/71024128/92612237-43af7f80-f2ec-11ea-9da1-d0d329ea9d4d.png

Secondly, I think there is some corruption of data as some of the data more or less disappeared, seen in the discontinuous graph below. image https://user-images.githubusercontent.com/71024128/92612390-6a6db600-f2ec-11ea-8373-784adec86d53.png

Finally, additional peaks appeared that are not present when viewed using PeakView or SeeMs.

Hope this can be fixed!

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OpenChrom - the open source alternative for chromatography / mass spectrometry
Dr. Philip Wenig » Founder » philip.wenig@openchrom.net » http://www.openchrom.net
the-lion-codes commented 4 years ago

Hi Phillip,

I have attached a .wiff file.

Ryan

On Wed, Sep 9, 2020 at 10:50 PM eselmeister notifications@github.com wrote:

Could you send me some test file?

Please contact me via: https://lablicate.com/about/contact

Best, Philip

Am 09.09.20 um 16:34 schrieb SaplingToss:

When I imported a .wiff file, the produced chromatogram was really strange. There were three issues.

Firstly, the more minor issue is that the chromatogram does not scale and I end up with something that looks like this. image < https://user-images.githubusercontent.com/71024128/92612237-43af7f80-f2ec-11ea-9da1-d0d329ea9d4d.png

Secondly, I think there is some corruption of data as some of the data more or less disappeared, seen in the discontinuous graph below. image < https://user-images.githubusercontent.com/71024128/92612390-6a6db600-f2ec-11ea-8373-784adec86d53.png

Finally, additional peaks appeared that are not present when viewed using PeakView or SeeMs.

Hope this can be fixed!

— You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub https://github.com/OpenChrom/openchrom/issues/82, or unsubscribe < https://github.com/notifications/unsubscribe-auth/AAFHUT3BNQL5BGCKCLECFKDSE6G5TANCNFSM4RCNLH4Q .

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OpenChrom - the open source alternative for chromatography / mass
spectrometry
Dr. Philip Wenig » Founder » philip.wenig@openchrom.net »
http://www.openchrom.net

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eselmeister commented 4 years ago

@SaplingToss Does the *.wiff file has been sorted out by GitHub?

the-lion-codes commented 4 years ago

@eselmeister Yes I think it was blocked. The .wiff file comes in 2 parts, I will zip them and upload. test.zip

eselmeister commented 4 years ago

Alternatively, you could also provide it via DropBox or similar.

Am 09.09.20 um 18:40 schrieb SaplingToss:

@eselmeister https://github.com/eselmeister Yes I think it was blocked. The .wiff file comes in 2 parts, I will zip them and upload. test.zip https://github.com/OpenChrom/openchrom/files/5196700/test.zip

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OpenChrom - the open source alternative for chromatography / mass spectrometry
Dr. Philip Wenig » Founder » philip.wenig@openchrom.net » http://www.openchrom.net
the-lion-codes commented 4 years ago

I uploaded it in my previous comment, can you see the zip file?