MSP Export
Description
This module exports fragmentation spectra of peaks in the peak list into MSP format file.
In addition to the spectra, the following peak characteristics are saved into the file:
- Name
- Name of the peak as displayed in the peak list
- DB#
- Row number in the peak list
- RT (optional)
- Retention time of a feature
- ANOVA_P_VALUE (optional)
- P-value calculated by the module Data analysis -> One-way ANOVA Test
- Num Peaks
- Number of peaks in the spectrum
Method Parameters
- Add retention time
- If selected, each MSP record will contain a line 'RT: retention time'
- Add ANOVA p-value (if present)
- If selected, each MSP record will contain a line 'ANOVA_P_VALUE: p-value' if such p-value is present
- 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