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The DeconvolutedMassIdMatcher class provides the mechanics that performs matches between analyte ID : molecular mass dictionary entries and the masses obtained by deconvolution of a mass spectrum. More...
| Header: | #include <DeconvolutedMassIdMatcher.hpp> |
| Inherits: | MsXpS::libXpertMassCore::MonitoredTaskInterface |
The speadsheet file (CSV with TAB delimiter) should have all the textual content enclosed in '"' (double quote) characters.
Example:
1 "mass_light" "mass_heavy" "Id" "Structure" "Formula" "GMred" "GM" "GManh" "Ala1" "Glu2" "DAP3" "Ala4" "Gly4" "Ala5" "Gly5" 2 75.032028437 78.035773009 "Gly" "Gly" "C2H5N1O2" 0 0 0 0 0 0 0 0 0 1 3 75.032028437 78.035773009 "Gly" "Gly" "C2H5N1O2" 0 0 0 0 0 0 0 1 0 0
From the MS Excel spreadsheet program, make sure to save as CSV file with the following settings:
- {Tab} as the delimiter - '"' as the text quoting symbol
If the file saving to CSV is not performed with these settings, the export might fail silently with missing text parts (especially if the text contains '[' or '{' characters.
The three fundamental columns in a spreadsheet (CSV-formatted) file that need to be present are "Structure", "Id" (condensed structure ) and "Formula".