| NEWS | R Documentation |
fix #8.
added method for centroiding a spectrum acquired in profile mode.
fix #11.
new by labeling using legend with fragment ion ordered by m/z values #10.
fix #9.
added comet.R helper functions.
recfactored peakplot functions.
resolve #6.
new S3 method for fragmentIon as.data.frame.
refactored ?findNN and ?AA man pages.
ssrc accepts also a vector as argument.
as.data.frame.pepxml for http://tools.proteomecenter.org/wiki/index.php?title=Formats:pepXML.
implement Rcpp module Fasta #3.
added the Swiss-Prot P12763 protein for testing.
added C++ STL lower_bound method.
added orcid in DESCRIPTION file
initial as.data.frame function.
added unit test for ssrc function.
deleted superfluous sigmamix data; please use http://bioconductor.org/packages/msqc1/ described in http://doi.org/10.1002/pmic.201500502.
fixed “register native routine issue” by using tools::package_native_routine_registration_skeleton(".") and renaming .C exports to __findNN_ and __findNN #1.
added support for Matrixce Sciense Mascot xml export; new S3classes: mascot and mascot_query.
cosmetics on protViz.Rnw vignette file.
added ssrc method for “Sequence Specific Retention Calculator”.
PTM Marker Finder:
added PeptideSequence and modification to csv output.
General:
added NEWS.Rd, CITATION.
changed URL.
fix R CMD check issues with R version 3.3.
BUG FIXES:
free memory computeFragmentIons.c
Testing:
added more tests for deisotoper.R and fragmentIon.R.