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:
- 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
- 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