Added help file for SpectralDatabaseMatch on single spec
@@ -29,13 +29,16 @@ Run on any feature list to match all rows against a local spectral library (form
<dd>json GNPS (format from the spectral DB submission module)</dd>
<dt>MS level</dt>
<dd>Set MS level to "1" to compare MS1 spectra (e.g. GC-EI-MS data) or set it to "2" or higher for MS/MS scans</dd>
-<dt>Check all scans (only for MS2)</dt>
- <dd>Either use all MS2 scans or only the most intense MS2 scan. This only applies to MS2 spectral matching.</dd>
<dt>Precursor m/z tolerance </dt>
<dd>Only used for MS level > 1. Filter all library entries by precursor m/z. </dd>
<dt>13C deisotoping </dt>
<dd>Deletes 13C isotope signals in the query and library mass spectra</dd>
<dd>Monotonic shape: Especially, for small molecules. 13C isotope pattern with first signal as the most abundant</dd>
+<dt>Min matched isotope signals</dt>
+ <dd>Minimum number of "isotope" signals that need to be matched in the query and library scan. Searches for putative: </dd>
+ <dd>13C signals </dd>
+ <dd>-H (M+ to M+H+) and -2H signals </dd>
+ <dd>Cl isotope signals </dd>
<dt>Crop spectra to m/z overlap </dt>
<dd>Only match signals that fall within the overlapping m/z range of both spectra (bounds are expanded by spectral m/z tolerance))</dd>
<dt>Spectral m/z tolerance </dt>
