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When trying to read in the output of spectronaut_report file, the column called "FG.ApexIonMobility" is not being imported with the rest of the data (the column seems to be dropped). Trying out the fo…
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Main issue to track ion mobility support in OpenMS
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Currently, we only have a DriftTimeType VCCS (==1/k0).
It seems to be common to convert 1/k0 to CCS using the formula: ```CCS=((2*pi/(((mz*charge)*28.0134/(mz*charge+28.0134)*1.66053904*(10^(-27)))*1…
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Hi,
we should test the reading and peak picking functions some time in the future how well it handles peculiarities in IMS data.
An addendum to the mzML spec says:
```
There was some concern that…
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**- Upload your log file**
(If a log file hasn't been generated, go to the 'Run' tab in FragPipe, click 'Export Log', zip the resulting "log_[date_time].txt" file to avoid truncation, then attach the…
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Hi there,
I have some LC-IM-MS data acquired with a Bruker TIMS-TOF instrument and I was wondering how we could import it with mzR.
I looked into a previous issue #44 and its corresponding fix #1…
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> ACTION: Everyone: Consider the following TripleTOF spectrum and see how to support it
>
> mzspec:PXD013210:TTB20160722_ISBHJOMXX001879_r01:scan:19809:SITS[phospho]PTTLYDR/2
> https://db.systemsb…
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Best,
I just started to use pymzml to retrieve spectral info, I find it a great tool!
I only do not manage to easily extract ion mobility from the data, for me this is for instance present as fo…
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**- Upload your log file**
[log_2024-09-09_11-51-34.txt](https://github.com/user-attachments/files/16935232/log_2024-09-09_11-51-34.txt)
I keep getting an error " Invalid Spectrum File Path", kind…
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Hi, as pointed out by @RogerGinBer in #275, there are a number of ways how ion mobility can be measured and included in mzML data. One is a scan attribute, where the ion mobility stuff is (hopefully) …