Hi Chi,
The NIST search module was written by Chris (in cc), so he might comment on
this. But perhaps the best way to find your answers is to read the source code
of the module:
http://sourceforge.net/p/mzmine/code/HEAD/tree/trunk/src/main/java/net/sf/mzmine/modules/peaklistmethods/identification/nist/NistMsSearchTask.java
Best regards,
Tomas
On Oct 22, 2013, at 12:42 AM, chi zhang <zhangch...@gmail.com> wrote:
> Hi guys,
>
> I'm trying to process some GC-MS data with MZmine 2 and got some questions
> about the NIST MS search.
>
> Before doing the library search, a spectrum is extracted according to the
> Spectrum RT tolerance and Max. peaks per sepctrum I set. Anybody could give
> more details about MZmine how to generate this spectrum? Does it return all
> the mass peaks within the RT tolerance then take the top N Max.? And is there
> any consideration on the deconvolution(there are two or more spectra within
> the RT tolerance) during this process?
>
> Thanks to all.
>
> Chi
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===============================================
Tomas Pluskal
G0 Cell Unit, Okinawa Institute of Science and Technology Graduate University
1919-1 Tancha, Onna-son, Okinawa 904-0495, Japan
WWW: https://groups.oist.jp/g0
TEL: +81-98-966-8684
Fax: +81-98-966-2890
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the latest Intel processors and coprocessors. See abstracts and register >
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