Alexandre Masselot
and 1 contributors

NAME

InSilicoSpectro::Spectra::MSMSCmpd

DESCRIPTION

General framework for ms/ms compound (fragmenetaion spectra)

FUNCTION

METHODS

$cmpd->title2acquTime

Try to deduce acquisition from the title (and @title2acquTime_regexes) if it was not defined

$sp->precursor_charges()

Return an array of the possible for the precursor

COPYRIGHT

Copyright (C) 2004-2005 Geneva Bioinformatics www.genebio.com

This library is free software; you can redistribute it and/or modify it under the terms of the GNU Lesser General Public License as published by the Free Software Foundation; either version 2.1 of the License, or (at your option) any later version.

This library is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more details.

You should have received a copy of the GNU Lesser General Public License along with this library; if not, write to the Free Software Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA

AUTHORS

Alexandre Masselot, www.genebio.com

parent data

All the data is stroed in arrays, the peakdescriptors (for parent and fragment) are responsible for stating what is the info stroed in each fields;

All the data (peak data) associated with the parent ion Ex =head3 setParentData(\@vals | ($index, $val))

getParentData (?$i)

if $i is defined, returns argument index $i. If not, it returns the array with all the values;

Peaks

addPeaks(\@peakList)

add a list of peaks

setters/getters

set($name, $val)

get($name)

label([$name], [$value])

gets or sets a label to this compound and saves it in the hash 'label' with an optional corresponding value