diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/changelog r-cran-readbrukerflexdata-1.8.3/debian/changelog --- r-cran-readbrukerflexdata-1.8.2/debian/changelog 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/changelog 2016-12-12 14:23:25.000000000 +0000 @@ -1,3 +1,24 @@ +r-cran-readbrukerflexdata (1.8.3-1) unstable; urgency=medium + + * Team upload + + [ Sebastian Gibb ] + * New upstream release. + * debian/control: + - Set Standards-Version to 3.9.8. + - Use secure canonical URL in Homepage. + - Use secure https URLs in Vcs-Git and Vcs-Browser. + + [ Andreas Tille ] + * cme fix dpkg-control + * Convert to dh-r + * Architecture: all + * debhelper 10 + * Update d/copyright + * d/watch: version=4 + + -- Andreas Tille Mon, 12 Dec 2016 15:23:25 +0100 + r-cran-readbrukerflexdata (1.8.2-1) unstable; urgency=low * New upstream release. diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/compat r-cran-readbrukerflexdata-1.8.3/debian/compat --- r-cran-readbrukerflexdata-1.8.2/debian/compat 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/compat 2016-12-12 14:23:25.000000000 +0000 @@ -1 +1 @@ -7 +10 diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/control r-cran-readbrukerflexdata-1.8.3/debian/control --- r-cran-readbrukerflexdata-1.8.2/debian/control 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/control 2016-12-12 14:23:25.000000000 +0000 @@ -1,18 +1,22 @@ Source: r-cran-readbrukerflexdata -Section: gnu-r -Priority: optional Maintainer: The Debichem Group Uploaders: Filippo Rusconi -Build-Depends: debhelper (>= 9), cdbs, r-base-dev (>= 2.15.0) -Standards-Version: 3.9.6 -Homepage: http://cran.r-project.org/web/packages/readBrukerFlexData/index.html -Vcs-Git: git://anonscm.debian.org/debichem/packages/r-cran-readbrukerflexdata.git -Vcs-Browser: http://anonscm.debian.org/gitweb/?p=debichem/packages/r-cran-readbrukerflexdata.git +Section: gnu-r +Priority: optional +Build-Depends: debhelper (>= 10), + dh-r, + r-base-dev +Standards-Version: 3.9.8 +Vcs-Browser: https://anonscm.debian.org/cgit/debichem/packages/r-cran-readbrukerflexdata.git +Vcs-Git: https://anonscm.debian.org/git/debichem/packages/r-cran-readbrukerflexdata.git +Homepage: https://cran.r-project.org/package=readBrukerFlexData Package: r-cran-readbrukerflexdata -Architecture: any -Suggests: r-cran-maldiquant -Depends: ${misc:Depends}, ${R:Depends} +Architecture: all +Depends: ${misc:Depends}, + ${R:Depends} +Recommends: ${R:Recommends} +Suggests: ${R:Suggests} Description: GNU R package to read Bruker Daltonics *flex format files The readBrukerFlexData package reads data files acquired by MALDI-TOF MS on Bruker Daltonics machines of the *flex series. diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/copyright r-cran-readbrukerflexdata-1.8.3/debian/copyright --- r-cran-readbrukerflexdata-1.8.2/debian/copyright 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/copyright 2016-12-12 14:23:25.000000000 +0000 @@ -1,14 +1,14 @@ -Format: http://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ +Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/ Upstream-Name: readBrukerFlexData Upstream-Contact: Sebastian Gibb -Source: http://cran.r-project.org/web/packages/readBrukerFlexData/index.html +Source: https://cran.r-project.org/package=readBrukerFlexData Files: * -Copyright: 2011-2015 Sebastian Gibb +Copyright: 2011-2016 Sebastian Gibb License: GPL-3+ Files: debian/* -Copyright: 2012-2015 Sebastian Gibb +Copyright: 2012-2016 Sebastian Gibb License: GPL-3+ License: GPL-3+ diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/rules r-cran-readbrukerflexdata-1.8.3/debian/rules --- r-cran-readbrukerflexdata-1.8.2/debian/rules 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/rules 2016-12-12 14:23:25.000000000 +0000 @@ -1,11 +1,10 @@ #!/usr/bin/make -f -# -*- makefile -*- -# debian/rules file for the Debian/GNU Linux r-cran-readbrukerflex package -# Copyright 2014 by Sebastian Gibb -include /usr/share/R/debian/r-cran.mk -DEB_INSTALL_DOCS_ALL := -DEB_INSTALL_CHANGELOGS_ALL := NEWS +%: + dh $@ --buildsystem R + +override_dh_installchangelogs: + dh_installchangelogs NEWS get-orig-source: ## download newest version from CRAN diff -Nru r-cran-readbrukerflexdata-1.8.2/debian/watch r-cran-readbrukerflexdata-1.8.3/debian/watch --- r-cran-readbrukerflexdata-1.8.2/debian/watch 2015-07-02 14:41:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/debian/watch 2016-12-12 14:23:25.000000000 +0000 @@ -1,3 +1,3 @@ -version=3 +version=4 http://cran.r-project.org/src/contrib/readBrukerFlexData_([\d\.]*).tar.gz diff -Nru r-cran-readbrukerflexdata-1.8.2/DESCRIPTION r-cran-readbrukerflexdata-1.8.3/DESCRIPTION --- r-cran-readbrukerflexdata-1.8.2/DESCRIPTION 2014-12-15 23:43:10.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/DESCRIPTION 2016-11-30 13:55:26.000000000 +0000 @@ -1,20 +1,22 @@ Package: readBrukerFlexData -Version: 1.8.2 -Date: 2014-12-15 +Version: 1.8.3 +Date: 2016-11-29 Title: Reads Mass Spectrometry Data in Bruker *flex Format Authors@R: person("Sebastian", "Gibb", role=c("aut", "cre"), email="mail@sebastiangibb.de") -Depends: R (>= 2.15.0) -Description: Reads data files acquired by MALDI-TOF MS on Bruker Daltonics - machines of the *flex series. +Depends: R (>= 3.3.0) +Description: Reads data files acquired by Bruker Daltonics' matrix-assisted + laser desorption/ionization-time-of-flight mass spectrometer of the *flex + series. License: GPL (>= 3) URL: http://strimmerlab.org/software/maldiquant/ https://github.com/sgibb/readBrukerFlexData/ BugReports: https://github.com/sgibb/readBrukerFlexData/issues/ LazyLoad: yes -Packaged: 2014-12-15 21:40:58 UTC; sebastian +RoxygenNote: 5.0.1 +NeedsCompilation: no +Packaged: 2016-11-30 09:58:15 UTC; sebastian Author: Sebastian Gibb [aut, cre] Maintainer: Sebastian Gibb -NeedsCompilation: no Repository: CRAN -Date/Publication: 2014-12-16 00:43:10 +Date/Publication: 2016-11-30 14:55:26 diff -Nru r-cran-readbrukerflexdata-1.8.2/man/changePrecision.Rd r-cran-readbrukerflexdata-1.8.3/man/changePrecision.Rd --- r-cran-readbrukerflexdata-1.8.2/man/changePrecision.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/changePrecision.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/double2singlePrecision-functions.R \name{.changePrecision} \alias{.changePrecision} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/cpSpecHpcMzXml.Rd r-cran-readbrukerflexdata-1.8.3/man/cpSpecHpcMzXml.Rd --- r-cran-readbrukerflexdata-1.8.2/man/cpSpecHpcMzXml.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/cpSpecHpcMzXml.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/cpSpecHpcMzXml-data.R \docType{data} \name{cpSpecHpcMzXml} @@ -13,8 +13,8 @@ } \description{ This dataset was generated by Bruker Daltonics CompassXport and imported by -\code{\link[readMzXmlData]{readMzXmlFile}} to R. It is only needed for -comparison between Bruker Daltonics' HPC and +\code{\link[readMzXmlData]{readMzXmlFile}} to R. It is only needed for +comparison between Bruker Daltonics' HPC and \code{\link[readBrukerFlexData]{.hpc}}. } \seealso{ diff -Nru r-cran-readbrukerflexdata-1.8.2/man/double2singlePrecision.Rd r-cran-readbrukerflexdata-1.8.3/man/double2singlePrecision.Rd --- r-cran-readbrukerflexdata-1.8.2/man/double2singlePrecision.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/double2singlePrecision.Rd 2016-11-29 15:08:42.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/double2singlePrecision-functions.R \name{.double2singlePrecision} \alias{.double2singlePrecision} @@ -42,9 +42,10 @@ ## reset digits option options(digits=oldDigits) + } \references{ -IEEE 754 standard: \url{http://754r.ucbtest.org/standards/754.pdf} +IEEE 754 standard: \url{http://ieeexplore.ieee.org/xpl/articleDetails.jsp?arnumber=30711&filter=AND(p_Publication_Number:2355)} } \seealso{ \code{\link[readBrukerFlexData]{.changePrecision}}, diff -Nru r-cran-readbrukerflexdata-1.8.2/man/extractHPCConstants.Rd r-cran-readbrukerflexdata-1.8.3/man/extractHPCConstants.Rd --- r-cran-readbrukerflexdata-1.8.2/man/extractHPCConstants.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/extractHPCConstants.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/hpc-functions.R \name{.extractHPCConstants} \alias{.extractHPCConstants} @@ -26,8 +26,8 @@ a \code{list}: \itemize{ \item{\code{hpcConstants$coefficients}: }{double, vector of coefficents} - \item{\code{hpcConstants$calibrationContant0}: }{c0} - \item{\code{hpcConstants$calibrationContant2}: }{c2} + \item{\code{hpcConstants$calibrationConstant0}: }{c0} + \item{\code{hpcConstants$calibrationConstant2}: }{c2} } } \description{ diff -Nru r-cran-readbrukerflexdata-1.8.2/man/grepAcquDoubleValue.Rd r-cran-readbrukerflexdata-1.8.3/man/grepAcquDoubleValue.Rd --- r-cran-readbrukerflexdata-1.8.2/man/grepAcquDoubleValue.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/grepAcquDoubleValue.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/grepAcquValue-functions.R \name{.grepAcquDoubleValue} \alias{.grepAcquDoubleValue} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/grepAcquValue.Rd r-cran-readbrukerflexdata-1.8.3/man/grepAcquValue.Rd --- r-cran-readbrukerflexdata-1.8.2/man/grepAcquValue.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/grepAcquValue.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/grepAcquValue-functions.R \name{.grepAcquValue} \alias{.grepAcquValue} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/hpc.Rd r-cran-readbrukerflexdata-1.8.3/man/hpc.Rd --- r-cran-readbrukerflexdata-1.8.2/man/hpc.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/hpc.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/hpc-functions.R \name{.hpc} \alias{.hpc} @@ -104,6 +104,7 @@ minMass=noHpcSpec$metaData$hpc$limits["minMass"], maxMass=noHpcSpec$metaData$hpc$limits["maxMass"], hpcCoefficients=noHpcSpec$metaData$hpc$coefficients) + } \references{ Gobom, J. and Mueller, M. and Egelhofer V. and Theiss, D. and diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readAcquFile.Rd r-cran-readbrukerflexdata-1.8.3/man/readAcquFile.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readAcquFile.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readAcquFile.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/readAcquFile-functions.R \name{.readAcquFile} \alias{.readAcquFile} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexData-defunct.Rd r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexData-defunct.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexData-defunct.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexData-defunct.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/package.R \name{readBrukerFlexData-defunct} \alias{mqReadBrukerFlex} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexData-package.Rd r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexData-package.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexData-package.Rd 2014-12-15 21:03:01.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexData-package.Rd 2016-11-29 15:54:20.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/package.R \docType{package} \name{readBrukerFlexData-package} @@ -18,9 +18,9 @@ Package: \tab readBrukerFlexData \cr -Version: \tab 1.8.2\cr +Version: \tab 1.8.3\cr -Date: \tab 2014-12-15\cr +Date: \tab 2016-11-29\cr License: \tab GPL (>= 3)\cr diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexDir.Rd r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexDir.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexDir.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexDir.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/readBrukerFlexDir-functions.R \name{readBrukerFlexDir} \alias{readBrukerFlexDir} @@ -73,6 +73,7 @@ ## draw legend legend(x="topright", legend=legendStr, col=rainbow(l), lwd=1) + } \seealso{ \code{\link[MALDIquantForeign]{importBrukerFlex}}, diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexFile.Rd r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexFile.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readBrukerFlexFile.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readBrukerFlexFile.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/readBrukerFlexFile-functions.R \name{readBrukerFlexFile} \alias{readBrukerFlexFile} @@ -12,7 +12,7 @@ \item{fidFile}{\code{character}, path to \emph{fid} file which should be read.} -\item{removeMetaData,}{\code{logical}, to calculate mass data a lot of meta +\item{removeMetaData, }{\code{logical}, to calculate mass data a lot of meta data are needed. To save memory they could be deleted after calculation.} \item{useHpc}{\code{logical}, should Bruker Daltonics' High Precision @@ -162,6 +162,7 @@ ## plot spectrum plot(spec$spectrum$mass, spec$spectrum$intensity, type="l", col="red") + } \seealso{ \url{https://github.com/sgibb/readBrukerFlexData/wiki}, diff -Nru r-cran-readbrukerflexdata-1.8.2/man/readFidFile.Rd r-cran-readbrukerflexdata-1.8.3/man/readFidFile.Rd --- r-cran-readbrukerflexdata-1.8.2/man/readFidFile.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/readFidFile.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/readFidFile-functions.R \name{.readFidFile} \alias{.readFidFile} @@ -14,7 +14,7 @@ (total count; get from acqu file)} \item{endian}{endianness of the fid file - (\sQuote{little} or \sQuote{big}; default: \sQuote{little})} +(\sQuote{little} or \sQuote{big}; default: \sQuote{little})} } \value{ A vector of intensity values. diff -Nru r-cran-readbrukerflexdata-1.8.2/man/sampleName.Rd r-cran-readbrukerflexdata-1.8.3/man/sampleName.Rd --- r-cran-readbrukerflexdata-1.8.2/man/sampleName.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/sampleName.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/sampleName-functions.R \name{.sampleName} \alias{.sampleName} @@ -8,7 +8,7 @@ } \arguments{ \item{fidFile}{\code{character}, path to fid file - (e.g. \sQuote{Pankreas_HB_L_061019_A10/0_a19/1/1SLin/fid})} +(e.g. \sQuote{Pankreas_HB_L_061019_A10/0_a19/1/1SLin/fid})} } \value{ \code{character}, sample name: e.g \sQuote{Pankreas_HB_L_061019_A10} diff -Nru r-cran-readbrukerflexdata-1.8.2/man/tof2mass.Rd r-cran-readbrukerflexdata-1.8.3/man/tof2mass.Rd --- r-cran-readbrukerflexdata-1.8.2/man/tof2mass.Rd 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/man/tof2mass.Rd 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -% Generated by roxygen2 (4.1.0): do not edit by hand +% Generated by roxygen2: do not edit by hand % Please edit documentation in R/tof2mass-functions.R \name{.tof2mass} \alias{.tof2mass} @@ -21,7 +21,7 @@ \description{ This function calculates mass from time of flight values based on the following article: - Titulaer, M. K. and Siccama, I. and Dekker, J. L. and + Titulaer, M. K. and Siccama, I. and Dekker, J. L. and van Rijswijk, A. L. and Heeren R. M. and Sillevis Smitt, P. A. and Luider, T. M. (2006) \cr \dQuote{A database application for pre-processing, storage and comparison @@ -33,7 +33,7 @@ Arguments are imported from metadata (acqu-file). } \references{ -Titulaer, M. K. and Siccama, I. and Dekker, J. L. and +Titulaer, M. K. and Siccama, I. and Dekker, J. L. and van Rijswijk, A. L. and Heeren R. M. and Sillevis Smitt, P. A. and Luider, T. M. (2006) \cr \dQuote{A database application for pre-processing, storage and comparison diff -Nru r-cran-readbrukerflexdata-1.8.2/MD5 r-cran-readbrukerflexdata-1.8.3/MD5 --- r-cran-readbrukerflexdata-1.8.2/MD5 2014-12-15 23:43:10.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/MD5 2016-11-30 13:55:26.000000000 +0000 @@ -1,16 +1,16 @@ -e9d67a5387e17e56a770aeec1ac6cdb1 *DESCRIPTION -c881567c522e436d9be43fe2ba7e6061 *NAMESPACE -7387c609f0160e11356b9e7fa0700ea2 *NEWS +dd88855a0eb94809bdbe35790f21ffdd *DESCRIPTION +e1052c0b606efcbee33069b4e1e739f1 *NAMESPACE +80ff43b21f38660913e484508f5cb2ec *NEWS 3af5176f5a2d53bd7e33999b75483b94 *R/cpSpecHpcMzXml-data.R -45f6ac1c7e92d8d7389aada0cabcb582 *R/double2singlePrecision-functions.R -508a7700b53501ac07707350afec7298 *R/grepAcquValue-functions.R -7a028b16b4c9d2eb1efdbd3cdd8c9a5d *R/hpc-functions.R -aaee9878204b95eb3254f6b311289ca5 *R/package.R -7c268b0988c34cacdfad0a74f9c6da21 *R/readAcquFile-functions.R -95fa49784066f583b3766891288795a8 *R/readBrukerFlexDir-functions.R -fc926b07fac7cdc0fb9107c0e190cc5b *R/readBrukerFlexFile-functions.R -7ccbabd8c7a3c3f08a80cac327129059 *R/readFidFile-functions.R -26d54ff3fcaca3ffa55120ed519b1610 *R/sampleName-functions.R +07db0f76401793b4f9e60c3a495e0950 *R/double2singlePrecision-functions.R +e38968fc74ec05b1d78052099abf6da7 *R/grepAcquValue-functions.R +fc9c1306bee5141e30879b861ad7c68b *R/hpc-functions.R +e6445bdbfe6837f0cbeb3b57b61e7c26 *R/package.R +9750c47b6cfdd453b736868c906566a3 *R/readAcquFile-functions.R +55269fed9fc18acabec3c2af24828d1f *R/readBrukerFlexDir-functions.R +5f37d8ad5dd103f31a779b39848d4c3b *R/readBrukerFlexFile-functions.R +8320b7e2396fd6cccf7d53b730bbbbf2 *R/readFidFile-functions.R +17cc7b38eb6cfc708ef3a477ad321a84 *R/sampleName-functions.R 61f4159d7a248e9d6901bd2781c01fe5 *R/tof2mass-functions.R 0a984d7b36f80792aaf6170017d7655b *data/cpSpecHpcMzXml.RData e5305c9066b13ad272def4dbe36a1d0d *inst/Examples/2010_05_19_Gibb_C8_A1/0_A1/1/1SLin/acqu @@ -20,18 +20,18 @@ 15eb319eccc8d4253d3bb5e54da98ad3 *inst/Examples/hpc/fid/0_A20/1/1SRef/acqu 25eec2005318cecd220bff5650de33a5 *inst/Examples/hpc/fid/0_A20/1/1SRef/fid 4fe5886da4a17568cb4c1a7ed0f2e4fa *inst/Examples/hpc/mzXML/hpc.mzXML -0f12c2835e3014652fa23773a5d61af2 *man/changePrecision.Rd -305b48371c35cef52dfc37bbe31b69ac *man/cpSpecHpcMzXml.Rd -944ef01fee1abfda95e9b132bf8df635 *man/double2singlePrecision.Rd -4358bd894fb8d5eeae3f1df4a5b28c54 *man/extractHPCConstants.Rd -cc451e40859f54f3654684ec5566b22e *man/grepAcquDoubleValue.Rd -dd96d81a2c053bbb84184fd1493b7249 *man/grepAcquValue.Rd -182558ff70c9807b5905ab7653e27893 *man/hpc.Rd -384c533e7474435b7d4667484b734287 *man/readAcquFile.Rd -c97175442f3448fc7a894308c4228cae *man/readBrukerFlexData-defunct.Rd -f781b4574775b90bc84666aee2cacd70 *man/readBrukerFlexData-package.Rd -c1d6caf63153fdc6ab4522ada51b5f39 *man/readBrukerFlexDir.Rd -ce251317bf8bbee18bed8088bfbfc524 *man/readBrukerFlexFile.Rd -39ef7ce983d88b7c124b9f5e05928309 *man/readFidFile.Rd -f61df3c4a54ac314cbdb79c78701cacf *man/sampleName.Rd -8e5680444b54a85469742b16355381eb *man/tof2mass.Rd +89343b824dc5d3e8ef9bb2b068df09fa *man/changePrecision.Rd +4448f8bfb5b2903edc8600f6cc16f0b1 *man/cpSpecHpcMzXml.Rd +57a824cc11bd332cebec0c7c13bb1ece *man/double2singlePrecision.Rd +ff8a0d4e4f99cdbef5f1b32ce4bf9295 *man/extractHPCConstants.Rd +420adeb579695de23267915c85008f9b *man/grepAcquDoubleValue.Rd +8c6f56f952b70625207650620c29dde1 *man/grepAcquValue.Rd +951f0a71319aeddd814c990c937b5fb3 *man/hpc.Rd +2227aa1305922c5684f3b5bb878cd855 *man/readAcquFile.Rd +7adceb7700fcdcc786c932eead46c3b8 *man/readBrukerFlexData-defunct.Rd +329ea104ced0af8b17b9ad6511cbdceb *man/readBrukerFlexData-package.Rd +1e9de1bebdffa263c69d7448ef264f71 *man/readBrukerFlexDir.Rd +eef705454fbe55958da44001180965d3 *man/readBrukerFlexFile.Rd +b044fb40e0c24d3dd661e90663dcc2b2 *man/readFidFile.Rd +4cb27f6b23f6382ef1b9ce4985e0b571 *man/sampleName.Rd +908524857934ecd9c14e0138587554ed *man/tof2mass.Rd diff -Nru r-cran-readbrukerflexdata-1.8.2/NAMESPACE r-cran-readbrukerflexdata-1.8.3/NAMESPACE --- r-cran-readbrukerflexdata-1.8.2/NAMESPACE 2014-12-15 20:56:56.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/NAMESPACE 2016-11-29 15:03:11.000000000 +0000 @@ -1,4 +1,4 @@ -# Generated by roxygen2 (4.1.0): do not edit by hand +# Generated by roxygen2: do not edit by hand export(readBrukerFlexDir) export(readBrukerFlexFile) diff -Nru r-cran-readbrukerflexdata-1.8.2/NEWS r-cran-readbrukerflexdata-1.8.3/NEWS --- r-cran-readbrukerflexdata-1.8.2/NEWS 2014-12-15 21:40:19.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/NEWS 2016-11-29 15:52:59.000000000 +0000 @@ -1,6 +1,14 @@ RELEASE HISTORY OF THE "readBrukerFlexData" PACKAGE =================================================== +Version 1.8.3 [2016-11-29]: +- Fix broken link to IEEE 754 standard in double2singlePrecision manual page. +- Some acqu files report a greater number of tof/mass values than the number of + intensity values in the fid files. Now the last tof/mass values are removed to + keep the number of tof/mass/intensity equal and a warning is thrown. + Thanks to Frederic Foucault for reporting + this problem. + Version 1.8.2 [2014-12-15]: - Fix sampleName for directory structures generated by old versions of the Bruker FlexControl software. diff -Nru r-cran-readbrukerflexdata-1.8.2/R/double2singlePrecision-functions.R r-cran-readbrukerflexdata-1.8.3/R/double2singlePrecision-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/double2singlePrecision-functions.R 2014-09-27 11:03:54.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/double2singlePrecision-functions.R 2016-11-29 15:08:38.000000000 +0000 @@ -38,7 +38,7 @@ #' @rdname double2singlePrecision #' @keywords internal #' @references -#' IEEE 754 standard: \url{http://754r.ucbtest.org/standards/754.pdf} +#' IEEE 754 standard: \url{http://ieeexplore.ieee.org/xpl/articleDetails.jsp?arnumber=30711&filter=AND(p_Publication_Number:2355)} #' @examples #' ## load library #' library("readBrukerFlexData") @@ -58,7 +58,7 @@ #' .double2singlePrecision <- function(x) { stopifnot(is.double(x)) - return(.changePrecision(x, size=4)) + .changePrecision(x, size=4L) } #' Change precision. @@ -84,7 +84,6 @@ ## size==8 # 64bit, double precision virtualCon <- writeBin(object=x, con=virtualCon, size=size) ## re-read data - x <- readBin(con=virtualCon, what=double(), size=size, n=length(x)) - return(x) + readBin(con=virtualCon, what=double(), size=size, n=length(x)) } diff -Nru r-cran-readbrukerflexdata-1.8.2/R/grepAcquValue-functions.R r-cran-readbrukerflexdata-1.8.3/R/grepAcquValue-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/grepAcquValue-functions.R 2014-09-27 11:06:45.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/grepAcquValue-functions.R 2016-11-26 20:14:38.000000000 +0000 @@ -19,10 +19,10 @@ #' Extracts values from acqu file. #' #' This function is a helper function to extract values from acqu file. -#' +#' #' @param patternStr \code{character}, pattern to look for #' @param srcStr \code{character} where to look for \code{patternStr} -#' +#' #' @return \code{character} vector of the value given in \code{patternStr} #' #' @seealso @@ -32,25 +32,23 @@ #' @keywords internal .grepAcquValue <- function(patternStr, srcStr) { tmpLine <- grep(pattern=patternStr, x=srcStr, value=TRUE) - + ## format e.g. ## DATATYPE= CONTINUOUS MASS SPECTRUM ## .IONIZATION MODE= LD+ ## $INSTRUM= - + ## remove front/back pattern environment - tmpLine <- gsub(pattern="(^.*= *? *$)", replacement="", x=tmpLine) - - return(tmpLine) + gsub(pattern="(^.*= *? *$)", replacement="", x=tmpLine) } #' Extracts values from acqu file. #' #' This function is a helper function to extract double values from acqu file. -#' +#' #' @param patternStr \code{character}, pattern to look for #' @param srcStr \code{character} where to look for \code{patternStr} -#' +#' #' @return \code{double} vector of the value given in \code{patternStr} #' #' @seealso @@ -60,10 +58,8 @@ #' @keywords internal .grepAcquDoubleValue <- function(patternStr, srcStr) { strValue <- .grepAcquValue(patternStr, srcStr) - + ## replace comma by dot - strValue <- gsub(",", replacement=".", strValue) - - return(as.double(strValue)) + as.double(gsub(",", replacement=".", strValue)) } - + diff -Nru r-cran-readbrukerflexdata-1.8.2/R/hpc-functions.R r-cran-readbrukerflexdata-1.8.3/R/hpc-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/hpc-functions.R 2014-09-27 11:06:45.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/hpc-functions.R 2016-11-29 15:03:08.000000000 +0000 @@ -40,8 +40,8 @@ #' a \code{list}: #' \itemize{ #' \item{\code{hpcConstants$coefficients}: }{double, vector of coefficents} -#' \item{\code{hpcConstants$calibrationContant0}: }{c0} -#' \item{\code{hpcConstants$calibrationContant2}: }{c2} +#' \item{\code{hpcConstants$calibrationConstant0}: }{c0} +#' \item{\code{hpcConstants$calibrationConstant2}: }{c2} #' } #' #' @seealso \code{\link[readBrukerFlexData]{.hpc}} @@ -49,22 +49,15 @@ #' @keywords internal #' .extractHPCConstants <- function(hpcStr) { - tmpLine <- strsplit(x=hpcStr, split=" ")[[1]] + tmpLine <- strsplit(x=hpcStr, split=" ")[[1L]] ## remove emtpy elements - tmpLine <- tmpLine[tmpLine != ""] - - hpcConstants <- list() + tmpLine <- tmpLine[nzchar(tmpLine)] ## extract only coefficients - hpcConstants$coefficients <- - as.double(tmpLine[(which(tmpLine == "V1.0VectorDouble") + 2):(which(tmpLine == "c2") - 1)]) - - hpcConstants$calibrationConstant2 <- - as.double(tmpLine[which(tmpLine == "c2") + 1]) - hpcConstants$calibrationConstant0 <- - as.double(tmpLine[which(tmpLine == "c0") + 1]) - - return(hpcConstants) + list(coefficients=as.double(tmpLine[(which(tmpLine == "V1.0VectorDouble") + 2L): + (which(tmpLine == "c2") - 1L)]), + calibrationConstant0=as.double(tmpLine[which(tmpLine == "c0") + 1L]), + calibrationConstant2=as.double(tmpLine[which(tmpLine == "c2") + 1L])) } #' High Precision Calibration @@ -194,13 +187,13 @@ ## correction=c[0] + c[1]*cal_mass^1 + ... + c[n]*cal_mass^n ## mass=cal_mass - correction - l <- length(hpcCoefficients) - 1 + l <- length(hpcCoefficients) - 1L m <- sapply(m, function(x) { - return(x - sum(hpcCoefficients * x^(0:l))) + x - sum(hpcCoefficients * x^(0L:l)) }) mass[hpcRange] <- m - return(mass) + mass } diff -Nru r-cran-readbrukerflexdata-1.8.2/R/package.R r-cran-readbrukerflexdata-1.8.3/R/package.R --- r-cran-readbrukerflexdata-1.8.2/R/package.R 2014-12-15 21:02:48.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/package.R 2016-11-29 15:54:14.000000000 +0000 @@ -30,9 +30,9 @@ #' #' Package: \tab readBrukerFlexData \cr #' -#' Version: \tab 1.8.2\cr +#' Version: \tab 1.8.3\cr #' -#' Date: \tab 2014-12-15\cr +#' Date: \tab 2016-11-29\cr #' #' License: \tab GPL (>= 3)\cr #' diff -Nru r-cran-readbrukerflexdata-1.8.2/R/readAcquFile-functions.R r-cran-readbrukerflexdata-1.8.3/R/readAcquFile-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/readAcquFile-functions.R 2014-11-05 19:59:52.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/readAcquFile-functions.R 2016-11-29 14:59:51.000000000 +0000 @@ -152,7 +152,7 @@ metaData <- list() ## endianness - isBigEndian <- as.integer(.grepAcquValue("##\\$BYTORDA=", acquLines)) == 1 + isBigEndian <- as.integer(.grepAcquValue("##\\$BYTORDA=", acquLines)) == 1L metaData$byteOrder <- ifelse(isBigEndian, "big", "little") ## obligate @@ -174,9 +174,9 @@ ## was HPC involved? metaData$hpcUse seems to be always true isHPCused <- isTRUE(metaData$hpcUse && - metaData$hpcLimits["maxMass"] > 0 && - metaData$hpcLimits["minMass"] > 0 && - metaData$hpcOrder > 0) + metaData$hpcLimits["maxMass"] > 0L && + metaData$hpcLimits["minMass"] > 0L && + metaData$hpcOrder > 0L) if (isHPCused) { hpcStr <- .grepAcquValue("##\\$HPCStr=", acquLines) @@ -273,7 +273,7 @@ metaData$laserShots <- as.double(.grepAcquValue("##\\$NoSHOTS=", acquLines)) - if (metaData$laserShots == 0) { + if (metaData$laserShots == 0L) { warning("File ", sQuote(fidFile), " seems to be empty because ", "no laser shots applied to this sample.") } @@ -284,12 +284,12 @@ if (length(metaData$patch) && grepl(pattern="(R[0-9]+)?X[0-9]+Y[0-9]+", x=metaData$patch, ignore.case=TRUE)) { - rx <- gregexpr(pattern="[XY][0-9]+", text=metaData$patch)[[1]] - pos <- substring(metaData$patch, rx+1, rx+attr(rx, "match.length")-1) + rx <- gregexpr(pattern="[XY][0-9]+", text=metaData$patch)[[1L]] + pos <- substring(metaData$patch, rx+1L, rx+attr(rx, "match.length")-1L) - if (length(pos) == 2) { + if (length(pos) == 2L) { pos <- as.double(pos) - metaData$imaging <- list(pos=c(x=pos[1], y=pos[2])) + metaData$imaging <- list(pos=c(x=pos[1L], y=pos[2L])) } } @@ -319,6 +319,6 @@ metaData$fullName <- paste(metaData$sampleName, metaData$patch, sep=".") metaData$name <- metaData$fullName - return(metaData) + metaData } diff -Nru r-cran-readbrukerflexdata-1.8.2/R/readBrukerFlexDir-functions.R r-cran-readbrukerflexdata-1.8.3/R/readBrukerFlexDir-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/readBrukerFlexDir-functions.R 2014-09-27 11:18:20.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/readBrukerFlexDir-functions.R 2016-11-29 15:00:34.000000000 +0000 @@ -102,7 +102,7 @@ ## remove calibrations scans? if (removeCalibrationScans) { calibrationScans <- grep(pattern="[Cc]alibration", x=files, value=TRUE) - if (length(calibrationScans) > 0) { + if (length(calibrationScans)) { files <- setdiff(files, calibrationScans) } } @@ -112,17 +112,14 @@ } ## generate 'path/files' - files <- sapply(files, function(x) { - x <- file.path(brukerFlexDir, x) - return(x) - }) + files <- file.path(brukerFlexDir, files) ## read fid files brukerFlexData <- lapply(X=files, FUN=function(f) { - return(readBrukerFlexFile(fidFile=f, removeMetaData=removeMetaData, - useHpc=useHpc, - filterZeroIntensities=filterZeroIntensities, - verbose=verbose)) + readBrukerFlexFile(fidFile=f, removeMetaData=removeMetaData, + useHpc=useHpc, + filterZeroIntensities=filterZeroIntensities, + verbose=verbose) }) if (!removeMetaData & useSpectraNames) { @@ -142,6 +139,6 @@ }, USE.NAMES=FALSE) } - return(brukerFlexData) + brukerFlexData } diff -Nru r-cran-readbrukerflexdata-1.8.2/R/readBrukerFlexFile-functions.R r-cran-readbrukerflexdata-1.8.3/R/readBrukerFlexFile-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/readBrukerFlexFile-functions.R 2014-11-04 15:26:20.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/readBrukerFlexFile-functions.R 2016-11-29 15:23:26.000000000 +0000 @@ -199,6 +199,14 @@ ## read peak intensities intensity <- .readFidFile(fidFile, metaData$number, metaData$byteOrder) + ## some fid files have less intensity values as reported in acqu + if (length(intensity) < metaData$number) { + metaData$number <- length(intensity) + warning("The number of tof/mass values reported in the acqu file is greater ", + "than the number of intensity values in the fid file. ", + "The extra tof/mass values are removed.") + } + ## calculate tof of metadata tof <- as.double(metaData$timeDelay + ((0:(metaData$number-1)) * metaData$timeDelta)) @@ -225,9 +233,9 @@ ## calculate mass of TOFs mass <- .tof2mass(tof, - metaData$calibrationConstants[[1]], - metaData$calibrationConstants[[2]], - metaData$calibrationConstants[[3]]) + metaData$calibrationConstants[[1L]], + metaData$calibrationConstants[[2L]], + metaData$calibrationConstants[[3L]]) ## TODO: fix equations in .hpc diff -Nru r-cran-readbrukerflexdata-1.8.2/R/readFidFile-functions.R r-cran-readbrukerflexdata-1.8.3/R/readFidFile-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/readFidFile-functions.R 2014-09-27 11:06:45.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/readFidFile-functions.R 2016-11-29 15:01:45.000000000 +0000 @@ -43,9 +43,7 @@ } con <- file(fidFile, "rb") - intensity <- readBin(con, integer(), n=nIntensities, size=4, endian=endian) - close(con) - - return(as.double(intensity)) + on.exit(close(con)) + as.double(readBin(con, integer(), n=nIntensities, size=4L, endian=endian)) } diff -Nru r-cran-readbrukerflexdata-1.8.2/R/sampleName-functions.R r-cran-readbrukerflexdata-1.8.3/R/sampleName-functions.R --- r-cran-readbrukerflexdata-1.8.2/R/sampleName-functions.R 2014-11-05 20:00:07.000000000 +0000 +++ r-cran-readbrukerflexdata-1.8.3/R/sampleName-functions.R 2016-11-29 15:01:57.000000000 +0000 @@ -58,7 +58,7 @@ ## 0_L20_1SLin/fid ## vs the more recent FlexAnalysis versions use ## 0/L20/1SLin/fid - isShortPath <- isTRUE(numDirs > 2 && + isShortPath <- isTRUE(numDirs > 2L && grepl("[0-9]+_[A-z][0-9]+_[0-9][A-z]+$", dirs[numDirs - 1L])) if (isShortPath) { @@ -72,6 +72,6 @@ x=sampleName) } - return(sampleName) + sampleName }