Hi Proteomics guys,

I am somehow lost in the beginning phase of my first project in the
Proteomics department. My main task of the is "Designing DATABASE" of
various "FILES" system existed in Proteomics research (RAW, wiff,
pepXML, dta) of different instrumentations and vendors. Main file
formats are RAW, WIFF & DTA which are not in XML and XML based pepXML.
Obviously there are overlap in information in multiple different data
file formats.Analytical tools to collect information from different
data file formats exist, yet mostly they (only) enable the analysis of
single files (experimental measurements) or comparison of "sets of
files". So to make research easy there is need of efficient collection
of relevant information from sets of files experiments, that's why
database is needed is querying. File based searching is not efficient
to question our answer.

"Have we seen this mono isotopic mass before in other experiments is
the main issue in our research"? I have started to work with RAW->
mzML. I went through the documentation of mzML available in the HUPO
trying to design relational schema from mzML schema manually. But
didn't find out where information like*"mono isotopic mass"* are
recorded in the mzML file? Is it precursor charge attribute in the
spectrum Element? Or am I missing something?

Can I be sure that all RAW and mzML after conversion regardless of
different vendors consists of "mono-isotpic mass" info?

Further, I am wondering does all mentioned files (wiff, pepXML,dta)
too contains "mono-isotopic mass" information?

Please guide me!

Regards,
RawProt

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