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Commit 98d1a599 authored by Langella Olivier's avatar Langella Olivier
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typst doc

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......@@ -604,3 +604,22 @@ The process starts with a full scan mass spectrum from which the mass
]
, caption: [The steps leading to a scored peptide #vs; mass spectrum match (PSM)]
)<fig_xtpcpp-peptide-mass-spectrum-match-process>
Once the acquisition of the experimental data is complete, the analysis of
these data involves going through all the fragmentation data of the
acquisition and performing these steps for #emph[each] MS/MS
spectrum (as evidenced in @fig_xtpcpp-peptide-mass-spectrum-match-process):
- Get the precursor ion's #mz; value;
- Compute the match #mz; range. For example, if the software is configured
with a #mz; tolerance for the #mz; matches set to 0.02 and the precursor
ion's #mz; value is 1254.25, then the match #mz; range would be
[1254.23#sym.dash.en;1254.27];
- Construct a list of all the peptides in the database that have their
#mz; value contained in the match #mz; range;
- For #emph[each] peptide in the list returned from
the database, compare its theoretical MS/MS spectrum with the
experimental one. Compute a HyperScore for comparison.
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