Skip to content
Snippets Groups Projects
Select Git revision
  • UFZ default protected
  • april2013hackfest
  • bioc
  • bioc2014
  • branch_treutler
  • devel
  • feature/defaultCC0
  • master
  • par_reads
  • refactoring
  • s4power
  • sneumann-patch-1
  • sneumann-patch-2
  • treutler-merge
14 results
You can move around the graph by using the arrow keys.
Created with Raphaël 2.2.027Nov2030Oct24231918218Sep141064331Aug292817151430Jul279628Jun272May30Apr22Mar19610Jan30Nov2930Oct97Sep26Jul24Apr9Dec229Nov18117Oct30Sep12May10311Apr28Mar220Feb1815121110985328Jan222120191815118619Dec181716149127Nov22Oct1413520Sep172129Aug24428Jul2423212019171614Jun4218May1716Apr31Mar24181Feb28Jan2721201919Dec18131285425Nov2413111023Oct222113715Sep822Jul720Jun1626May830Apr2927242322117627Mar262411107418Feb1711106527Jan14916Dec425Nov211328Oct242317144223Sep1916131211954229Aug282730Jul2419181512653227Jun1828May722Apr19171311109854326Mar212019151484127Feb26211823Jan141Oct7Sep328Augrevert enabling unit tests for nowenable unit tests, add another for for empty generated.formula(), closes #199, add NEWS, bump versionFixed bug and implemented restarts of web queries for more error toleranceAdded adductshttp://cts.fiehnlab.ucdavis.edu/service/compound/ -> https://cts.fiehnlab.ucdavis.edu/service/compound/bump x.y.z versions to odd y after creation of RELEASE_3_8 branchbump x.y.z versions to even y prior to creation of RELEASE_3_8 branchFix for RCurl failure, as suggested by @tsufzVersion bumpMerge remote-tracking branch 'origin/master'Bugfix for some PRM data with precursor scan 0Fixed remaining fiehnlab URLs to httpsMerge pull request #210 from MassBank/sneumann-patch-2Merge pull request #205 from tsufz/masterMove base URL of CTS from http to httpssneumann-patch-…sneumann-patch-2 upstream/sneumann-patch-2Changed order of AC: IONIZATION and AC: ION_MODE as the record specification demands itCorrected the position of SP in recordsAdded further adductsAdded Li to DBE calculationRefined the calculation of monoisotopic masses additions using enviPatFixed the parsing of msp files with decimal delimiter comma instead of pointFixed bug in the record compilation in case of empty spectraAdded additional adductsChange order of ION_MODE and IONIZATION to be compliant with specification. Fixes issue #204.Add .gitignoreFixed bug in the stored adduct informationStored adduct information in data.frame instead of if-clausesCorrection for the accessibility of isotope informationAdded K to the elements of the dbe calculationAdded a check whether the elements in the molecular formulas are covered in the dbe calculation to convert strange error to explicit errorFixed bug for the export of invalid recordsPassed the molecular formula to the the unified adduct recognitionDistributed the unified adduct recognition check to all remaining relevant placesAdded enviPat to the dependencies and fixed bug in the unified adduct recognition checkDistributed the unified adduct recognition check to all relevant placesFixed bug in the unified adduct recognition checkUpdated the adduct recognition check in a unified wayAdded 11 additional adducts: [M+K]+, [M+ACN+H]+, [M+ACN+Na]+, [M+2Na-H]+, [2M+H]+, [2M+K]+, [2M+Na]+, [2M+NH4]+, [2M+ACN+H]+, [M+ACN+2H]2+, [M+2H]2+Fixed bug: Corrected charge for adduct pNH4Fixed bug for modes other than pH by passing the mode parameter to findMz