Adding information to the metrics file

kevinkovalchik / RawQuant

RawQuant is a Python package for extracting scan meta data and quantification values from Thermo .raw files.

MIT License

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Adding information to the metrics file #9

Closed chrishuges closed 6 years ago

chrishuges commented 6 years ago

Would be nice if the MS2 detector was output to the MGF file. Right now we just put instrument, which is great, but adding the detector would be good as well.

kevinkovalchik commented 6 years ago

Sure, this can be added. Will work on it.

kevinkovalchik commented 6 years ago

I added analyzer types for each MS order to the metrics file.

example:

Raw file:   Lumos_data.raw
Instrument: Orbitrap Fusion Lumos
MS order:   3
MS1 analyzer type:  FTMS
MS2 analyzer type:  ITMS
MS3 analyzer type:  FTMS
Total analysis time (min):  45.0042
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