MGF Export

Description

This module exports fragmentation spectra of peaks in the peak list into MGF (Mascot Generic Format) format file. In addition to the spectra, the following peak characteristics are saved into the file:

FEATURE_ID
Row number in the peak list
PEPMASS
Mass of the peak. If each row in the peak list contains several peaks (e.g. after performing alignment), the mass of the highest peak is chosen
RTINSECONDS
Retention time of the peak. If each row in the peak list contains several peaks, the average retention time is chosen
SCANS
The same as FEATURE_ID
MSLEVEL
Always equals 2
CHARGE
Always equals 1+

Method Parameters

Fractional m/z values
If not selected, all fractional m/z values are rounded to the closest integer and the corresponding peaks are merged
Merging Mode
When peaks are merged, the resulting elution profile is calculated by one of the following rules:
  1. Maximum. In the resulting elution profile, the intensity at retention time t is the maximum of the intensities at t across the merging elution profiles
  2. Sum. In the resulting elution profile, the intensity at retention time t is the sum of the intensities at t for all merging elution profiles