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NEWS | R Documentation |
added functions blockRandom
, assignPlatePosition
, insertSamples
for configuring MS instrument queues.
replaced pubmedid urls by DOIs.
add replication code for Figures 1-5 in doi:10.1021/jasms.0c00040.
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
.
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 https://bioconductor.org/packages/msqc1/ described in doi: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
.
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They may not be fully stable and should be used with caution. We make no claims about them.
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