Re: deconvolution software freeware?

[Chip Cody]

This thread leads to one of my pet terminology peeves...

Adam is referring to what should be the mathematically correct use of
the term "deconvolution" -- an algorithm to separate overlapping
functions, in this case overlapping mass spectra that are partially
chromatographically resolved. Unfortunately, "deconvolution" is also
used to describe something completely different -- the charge-state
transform for determining the molecular weight from the m/z's of
multiple-charge ions in electrospray. I think that is what the
original posting was looking for.

The use of "deconvolution" in relationship to multiple-charge ions
came from the classic Mann, Meng and Fenn article (Anal. Chem.
54:1702-1708), 1989. Although the paper was a landmark publication,
the use of "deconvolution" is confusing. Personally, I wish that the
mass spec community would avoid using "deconvolution" to refer to
"charge-state transform".

Chip

On Mar 22, 6:44 pm, Yahsi3228 <returnmai...@yahoo.com> wrote:
} Try NIST AMDIS athttp://chemdata.nist.gov/mass-spc/amdis/
}
} It is free, quite powerful, and fairly sophisticated.
}
} Adam Patkin
} PerkinElmer

}
} } On Feb 19, 12:42 pm, Joris <jorisb...@gmail.com> wrote:
} } } Dear all,
} } } Is there any good, simple, freeware software which can be used to
} } } deconvolute .RAW mass spectra files?
} } } Of course, the Thermo software XCalibur comes with Bioworks
} } } deconvolution but can only be installed on one workstation.
} } } Thanks a lot.
} } } Best,
} } } Joris Beld
} } } ETH Zürich
} }
} }

} }
} }