InSilicoSpectro::Spectra::MSSpectra - InSilicoSpectro::Spectra::MSSpectra documentation


InSilicoSpectro documentation  | view source Contained in the InSilicoSpectro distribution.

Index


MSSpectra

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General framework for ms spectra

METHODS

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my $sp=InSilicoSpectro::Spectra::MSSpectra->new(%h|ExpSpectrum|MSSpectra)

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$sp->source ([$filename])

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Set or get the source file (where the data is)

$sp->origFile([$filename])

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Set or get the original file (where the data was)

$sp->format ([$strinf])

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Set or get the source file format

$sp->title([$string])

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Set or get the title

$sp->defaultCharge ([$string])

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Set or get the defaultCharge

$sp->setSampleInfo(name, value);

set a name/value for sample info

$sp->getSampleInfo(name);

get a sampleinfo value

GLOBAL VARIABLES

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$USE_FILECACHED=boolean

set to 1 (default) will activate the use of FileCached system

COPYRIGHT

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AUTHORS

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Alexandre Masselot, www.genebio.com

read subs

Alow opening data from various format

open()

Reads the spectra from $this->source , with type from $this{format}. If the latest is not defined, it will try to mgf ()

guessFormat()

Try to guess the spectra format (if it is not yet defined) based on the file extension stores in the argument {source}. However, if you wish to load for example .dta file from a directory, it will not determine it automatically.

If the format was already specified, it will not try to guess it.

chargeMasks

To allow charge incertitude, the package manage multi charges as on int. For example '2+ AND 3+' will be stored as (2^2+2^3)=12. Subroutines to convert string 2 chargeMask are exported as static (they do not belong to one particuliar spectra


InSilicoSpectro documentation  | view source Contained in the InSilicoSpectro distribution.