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wh-xu / Hyper-Spec

A Python library for fast mass spectra clustering.
BSD 3-Clause "New" or "Revised" License
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Problem with scannr #2

Closed JannikSchneider12 closed 8 months ago

JannikSchneider12 commented 10 months ago

Hey,

I tested multiple runs of hyperspec for my mgf files and I have the problem that the scannr doesnt seem to be preserved, so it is always -1. Can somebody help me?

image

wh-xu commented 9 months ago

The SCAN number needs to be specifically shown in the MGF files. Here is an example:

BEGIN IONS TITLE=controllerType=0 controllerNumber=1 scan=197 SCANS=197 RTINSECONDS=242.8862 PEPMASS=672.10693359375 CHARGE=2+ 101.8324356 287.1295776367 112.0506973 1069.5451660156 ...