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TargetSearch and NIST text format

Posted: Wed Jul 15, 2015 8:12 am
by crazycindy
Hi!

I am new to using the TargetSearch (http://www.biomedcentral.com/content/pd ... 10-428.pdf) and currently exploring the scripts to work on my data. The literature used the Golm Library. Is there a way for me to extract the text format of our NIST library so I can use it instead of the Golm Library? Or where should I search for the NIST MS Software text format?

Thanks!

Re: TargetSearch and NIST text format

Posted: Thu Jul 16, 2015 12:54 am
by chemstation
Hello,
For in-house created NIST libraries, NIST has a programme named Lib2NIST that can convert
it to several standard text formats.
http://chemdata.nist.gov/mass-spc/ms-se ... _tool.html

kind regards
Alex

Re: TargetSearch and NIST text format

Posted: Wed Jul 22, 2015 10:37 am
by crazycindy
Dear Alex,

I have actually tried the Lib2Nist tool. Unfortunately, I am getting these 2 errors:

"Too many spectra 243893.(null)Conversion cannot be done" - So I specified the List of spectra IDs to 30 and here's the next error:

"This patch package could not be opened. Contact the application vendor to verify that this is a valid Windows Installer Patch Package"

I am no longer sure of what to do next..

Re: TargetSearch and NIST text format

Posted: Wed Jul 22, 2015 11:38 pm
by chemstation
Hello,
I wrote "In-House" in bold earlier, as only user created Libraries can be converted,
as you wrote in your original post "our NIST library"

The MainLib is owned/copyright by NIST, the Number 243,893 is the number of EI spectra in NIST 11.

As such you can not convert the NIST 11 MainLib libraries using the Lib2NIST tool.

Alex