ProteoWizard: The chosen one in RAW file conversion

I'm the chosen one.

After five years in proteomics and a quick walk through different computational proteomics topics such as: database analysis, proteomics repositories and databases or identification algorithms I'm sure that the most painful and no grateful job is work with file formats: writing, reading, and dealing with end-users. 

File formats (the way that we use to represent, storage and exchange our data) are fundamentals piece in bioinformatics, more than that, are one of the milestone of the Information Era. In some fields the topic is more stable than others, but the topic is still in the table for most of us. To have a quick idea see the evolution of general standards in recent years like XML, JSON and recently YAML.

NEW NIST 2014 mass spectral library

Originally posted in NIST 2014.

Identify your mass spectra with the new NIST 14 Mass Spectral Library and Search Software.

NIST 14 - The successor to NIST 11 (2011) - Is a collection of:

• Electron ionization (EI) mass spectra
• Tandem MS/MS spectra (ion trap and collision cell)
• GC method and retention data
• Chemical structures and names
• Software for searching and identifying your mass spectra
• NIST 14 is integrated with most mass spectral data systems, including Agilent ChemStation/MassHunter, Thermo Xcalibur, and others. The NIST Library is known for its high quality, broad coverage, and accessibility. It is a product of a three decade, comprehensive evaluation and expansion of the world's most widely used and trusted mass spectral reference library compiled by a team of experienced mass spectrometrists in which each spectrum was examined for correctness.

Improvements from 2011 version:

• Increased coverage in all libraries: 32,355 more EI spectra; 138,875 more MS/MS spectra; 37,706 more GC data sets
• Retention index usable in spectral match scoring
• Improved derivative naming, user library features, links to InChIKey, and other metadata.
• Upgrade discount for any previous version
• Lowest Agilent format price available

MS/MS and GC libraries may now be optionally purchased separately at very low cost
Learn what`s new http://www.sisweb.com/software/ms/nist.htm#whatsnew

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