Changes in version 0.7.3 (2022-04-04) o added functions blockRandom, assignPlatePosition, insertSamples for configuring MS instrument queues. o replaced pubmedid urls by DOIs. o add replication code for Figures 1-5 in doi:10.1021/jasms.0c00040 . Changes in version 0.6.8 (2020-05-02) o fix #8. o added method for centroiding a spectrum acquired in profile mode. o fix #11. o new by labeling using legend with fragment ion ordered by m/z values #10. o fix #9. Changes in version 0.5.0 o added comet.R helper functions. o recfactored peakplot functions. Changes in version 0.4.0 (2019-01-04) o resolve #6. o new S3 method for fragmentIon as.data.frame. Changes in version 0.3.0 o refactored ?findNN and ?AA man pages. o ssrc accepts also a vector as argument. o as.data.frame.pepxml. Changes in version 0.2.45 (2017-11-17) o implement Rcpp module Fasta #3. o added the Swiss-Prot P12763 protein for testing. o added C++ STL lower_bound method. o added orcid in DESCRIPTION file Changes in version 0.2.37 (2017-10-12) o initial as.data.frame function. o added unit test for ssrc function. o deleted superfluous sigmamix data; please use described in doi:10.1002/pmic.201500502 . Changes in version 0.2.31 (2017-05-26) o fixed ``register native routine issue'' by using tools::package_native_routine_registration_skeleton(".") and renaming .C exports to __findNN_ and __findNN #1. o added support for Matrixce Sciense Mascot xml export; new S3classes: mascot and mascot_query. o cosmetics on protViz.Rnw vignette file. o added ssrc method for ``Sequence Specific Retention Calculator''. Changes in version 0.2.16 o PTM Marker Finder: • added PeptideSequence and modification to csv output. Changes in version 0.2.13 o General: • added NEWS.Rd, CITATION. • changed URL. • fix R CMD check issues with R version 3.3. Changes in version 0.1.97 (2014-06-19) o BUG FIXES: • free memory computeFragmentIons.c o Testing: • added more tests for deisotoper.R and fragmentIon.R.