Wednesday, 2 November 2011

new mass spectral library made available

Today I exported the current mass spectral library and linked the files on the GMD download web page.

We now permit the download of the GMD mass spectral reference library under the Creative Commons Attribution-ShareAlike 3.0 License (many thanks to Steffen Neumann for helping us to choose the right license). This overdue export was shifted again and again because I wanted to cleanup some issues in the export application. Also, considering the seven export formats, two retention index markers and two GC-columns, giving raise to 7*2*2=28 different files, I wanted to implement an fully automated export first.
In comparison to the deprecated library from June 2010 we added the library (~660 spectra) from Prof. Schomburgs department at Technische Universit├Ąt Carolo-Wilhelmina in Braunschweig.
If you also want to see your spectra integrated within the GMD I strongly want to encourage you to submit the spectra per email in any library format you prefer.

cheers,
Jan

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