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Tuesday, 21 November 2017
 
 
mSpecs paper available PDF Print E-mail
Tuesday, 25 August 2009

I'm pleased to announce that BMC Bioinformatics has released a paper about mSpecs (PMID 19624850). If you use mSpecs extensively in your research, my coworkers and me would be happy if you cite us with the following reference:

Thielen B, Heinen S, Schomburg D: mSpecs: a software tool for the administration and editing of mass spectral libraries in the field of metabolomics. BMC Bioinformatics. 2009 Jul 22;10:229

Last Updated ( Tuesday, 25 August 2009 )
 
mSpecs Editor 1.01 released PDF Print E-mail
Wednesday, 11 March 2009

Version 1.01 of mSpecs Editor is available. Changes:

  • the CAS-number and KEGG-numbers field is replaced by a generic identification-numbers field where the user can define the type of identification number.
  • added an auto-backup feature for the libraries.
  • the documentation file was missing in the windows installer.
  • added an example library in the mlb file format.
  • again bug fixes and minor improvements.
Last Updated ( Wednesday, 11 March 2009 )
 
mSpecs Editor 1.00 released PDF Print E-mail
Monday, 22 December 2008

Version 1.00 of mSpecs Editor is now available. The changes include:

  • added full documentation.
  • added exemplary scripts.
  • added filter in order to search any content of a compound without choosing a certain data field.
  • further bug fixes and minor improvements.
Last Updated ( Wednesday, 11 March 2009 )
 
mSpecs Editor 0.99 released PDF Print E-mail
Sunday, 29 June 2008

Version 0.99 of mSpecs Editor is available. The changes include:

  • limited number of instances of the application to one.
  • changed mass traces field of library element from a list of doubles to a list of doubles and their type.
  • replaced retention index penalty by a positive and negative double.
  • implemended scripting functionalities: importing and exporting of structures; automatic calculations.
  • further bug fixes and minor improvements.
Last Updated ( Wednesday, 11 March 2009 )
 
mSpecs Editor 0.98 released PDF Print E-mail
Friday, 23 November 2007

Version 0.98 of mSpecs Editor is available. The changes include:

  • added scripting language including full undo/redo support.
  • added compression to saved libraries resulting in about three times smaller size.
  • added possibility to abort printing.
  • added function to save libraries if program is terminated abnormally.
  • added search and sort for molecular masses of the components.
  • fixed bug that caused heavy delays on using drag/drop and copy/paste.
  • fixed bug with dissapearing splitter on spectrum tab.
  • further bug fixes and minor improvements.
Last Updated ( Wednesday, 11 March 2009 )
 
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