NEWS
e3f79ff5
 CHANGES IN VERSION 2.27.2
 -------------------------
  o Remove support for the ramp backend.
 
60bf7869
 CHANGES IN VERSION 2.27.1
 -------------------------
  o Add missing atomic_count_sync.hpp BH file (see PR #248 by vjcitn)
 
 CHANGES IN VERSION 2.27.0
 -------------------------
  o New Bioc devel version
 
4c81caf2
 CHANGES IN VERSION 2.25.5
 -------------------------
  o Fix compile error on clang-11 reported (and fixed!) by Kurt Hornik, closes #244
 
e2944488
 CHANGES IN VERSION 2.25.4
 -------------------------
  o Add dependency "rmarkdown" to "suggests:"
 
cc0f816e
 CHANGES IN VERSION 2.25.3
 -------------------------
  o Ensure `header` for CDF returns columns with correct data type.
 
f56e0c92
 CHANGES IN VERSION 2.25.2
 -------------------------
  o Fix issue #238: ensure `header` call returns the same columns for all
    backends.
 
09d5907d
 CHANGES IN VERSION 2.25.1
 -------------------------
  o Bump version to trigger new build using latest Rcpp
 
 CHANGES IN VERSION 2.25.0
 -------------------------
  o New Bioc devel version
60bf7869
 
a6e86e06
 CHANGES IN VERSION 2.21.2
 -------------------------
  o Update email address
 
23b9e52b
 CHANGES IN VERSION 2.21.1
7b1d0adf
 -------------------------
a6e86e06
  o inject a new PSI-MS.obo controlled vocabulary
7b1d0adf
    data-version: 4.1.30
    date: 30:08:2019 16:10
    saved-by: Gerhard Mayer
 
 CHANGES IN VERSION 2.19.7
 -------------------------
  o Fix compile error on Windows + Mac (Thanks Mike!)
 
dddbebce
 CHANGES IN VERSION 2.19.6
32246a88
 -------------------------
  o header for the pwiz backend returns NA instead of 0 for not defined or
    missing information <2019-09-24 Tue>.
5bcb9d2b
  o peaks for pwiz backend rewritten (small performance improvement)
    <2019-09-26 Thu>.
32246a88
 
dddbebce
 CHANGES IN VERSION 2.19.5
a6e86e06
 -------------------------
dddbebce
  o version bump to force build with latest Rcpp
 
52172a4d
 CHANGES IN VERSION 2.19.4
 -------------------------
  o Add header columns scanWindowLowerLimit and scanWindowUpperLimit
 
712c3d62
 CHANGES IN VERSION 2.19.3
 -------------------------
  o use ProtGenerics::tolerance generic <2019-08-16 Fri>
 
219af409
 CHANGES IN VERSION 2.19.2
 -------------------------
712c3d62
  o Fix issue 190, compiles on clang-8.0
219af409
 
7c0d6bff
 CHANGES IN VERSION 2.19.1
 -------------------------
  o Remove analyzer generics, now in ProtGenerics <2019-05-13 Mon>
 
524b2a7d
 CHANGES IN VERSION 2.17.4
 -------------------------
  o Update documentation, pointing to MSnbase rather than directly use
    low-level classes. <2019-04-17 Wed>
 
2edb9032
 CHANGES IN VERSION 2.17.3
 -------------------------
  o Extract isolation window from mzML files (issue #193): data.frame returned
    by header gains columns "isolationWindowTargetMZ",
    "isolationWindowLowerOffset", "isolationWindowUpperOffset".
 
19812c5c
 CHANGES IN VERSION 2.17.2
 -------------------------
  o Fix bug #185: Error in R_nc4_open: Too many open files
 
e7ed4bd5
 CHANGES IN VERSION 2.15.5
 -------------------------
59a4c51a
  o Fix bug #181
e7ed4bd5
 
523282db
 CHANGES IN VERSION 2.15.4
 -------------------------
524b2a7d
  o Use new dependency ncdf4 for netCDF reading,
523282db
    removes a lot of build hassles with old libnetcdf-dev linking.
524b2a7d
  o specParams returns a numeric scan.number.s.
523282db
 
4d6f0569
 CHANGES IN VERSION 2.15.3
 -------------------------
d6f9d24e
  o Adds MS-GF+ information such as Scan Time and a more reliable Scan
    Number, contributed by FarmGeek4Life (see PR #174).
4d6f0569
 
817d1420
 CHANGES IN VERSION 2.15.2
beb10947
 -------------------------
817d1420
  o Add header column ionMobilityDriftTime to report the corresponding CV
    parameter (issue https://github.com/sneumann/mzR/issues/44).
  o Ensure ion injection time is always reported in milliseconds.
d6f9d24e
  o Replace BiocInstaller::biocLite with BiocManager::install (by Bioc
    core)
beb10947
 
d4cada7e
 CHANGES IN VERSION 2.15.1
 -------------------------
34e33611
  o Fix typo (see https://github.com/sneumann/mzR/pull/162)
02df48ba
  o New .hasSpectra and .hasChromatograms private function (see
34e33611
    https://github.com/lgatto/MSnbase/issues/343)
9680e563
  o Fix bug in score when more cvParams than expected are read - see
    https://github.com/sneumann/mzR/issues/136 <2018-05-26 Sat>
d4cada7e
 
 CHANGES IN VERSION 2.15.0
 -------------------------
  o New Bioc devel version
 
3c1139ba
 CHANGES IN VERSION 2.13.8
 -------------------------
  o Document missing chrom argument for chromatogram(s)
 
86995a80
 CHANGES IN VERSION 2.13.7
 -------------------------
  o Add a missing header needed on gcc 6.2.0
 
fb188884
 CHANGES IN VERSION 2.13.6
 -------------------------
b81870a6
  o Add MS CV Term IDs for mzR, MSnbase and CAMERA (issue #151)
  o Validate exported mzML files using xsd
fb188884
 
8bf17724
 CHANGES IN VERSION 2.13.5
 -------------------------
  o Fix https://github.com/sneumann/xcms/issues/261
b19c2941
  o Fix endian.hpp for new c++ versions (see PR #149)
8bf17724
 
94a5fd15
 CHANGES IN VERSION 2.13.4
 -------------------------
  o Fix error (see issue #145)
 
acb735f2
 CHANGES IN VERSION 2.13.3
 -------------------------
ac131c31
  o Link against Rhdf5lib, allows to read mz5 also on Windows
d7a2bb07
  o Use Rhdf5lib 1.1.4 with c++ headers in /include
ac131c31
  o fix BiocStyle related issue in Vignette on Windows
9680e563
 
3555a9aa
 CHANGES IN VERSION 2.13.2
 --------------------------
  o Add chromatogramHeader method to read header information for chromatograms
    from an mzML file.
 
75d74a65
 CHANGES IN VERSION 2.13.1
60e3945e
 --------------------------
5b73238e
  o Read filter string from mzML files and add it to the data.frame returned by
    the header function (see MSnbase issue #278).
75d74a65
  o openMsFile automatically determine the backend to use based on file extension
    and content.
9680e563
 
64b8fc50
 CHANGES IN VERSION 2.11.11
f61f6652
 --------------------------
64b8fc50
  o Fix problem in writeMSData: ensure precursor data is saved even if precursor
    scan is not available (see MSnbase issue #245).
9680e563
 
74715917
 CHANGES IN VERSION 2.11.10
 --------------------------
32234431
  o Fix problem that can cause a SEGFAULT in writeMSData/copyWriteMSData when MS
    data with spectra linking to missing precursor scans is saved (issue #129).
74715917
 
8675fdd3
 CHANGES IN VERSION 2.11.9
 -------------------------
74715917
  o Update peaks man page with details about spectrumId, acquisitionNum
    and seqNum
8675fdd3
 
e15c229b
 CHANGES IN VERSION 2.11.8
 -------------------------
c8f01efb
  o Add contributions guide with code of conduct.
cbefda96
  o Update installation instructions for Mac.
630000b7
  o Report the spectrum ID in the header data.frame (column spectrumId).
  o Fix in copyWriteMSData and writeMSData ensuring that MSn data is correctly
19215c27
  o Import pwiz r11174 fix for mzML without <componentList> (see #113).
9680e563
 
36d23910
 CHANGES IN VERSION 2.11.7
 -------------------------
  o Nothing yet.
92050712
  o Import fix by Brian Pratt (pwiz r11174) for mzML without <componentList>
9680e563
    Another way to fix #113
73b16723
  o Removing mz5 support from manual page, as currently unsupported.
9680e563
 
6640f7f4
 CHANGES IN VERSION 2.11.6
 -------------------------
5a562555
  o runInfo returns the run start time stamp from files providing this
    information (mzML files).
9680e563
 
d24a151c
 CHANGES IN VERSION 2.11.5
1278c3f0
 -------------------------
d24a151c
  o writeMSData and copyWriteMSData functions enabling to export MS data to
    mzML or mzXML files.
9680e563
 
249dc162
 CHANGES IN VERSION 2.11.4
 -------------------------
e779fc2a
  o Use full TMT file pattern to select a single file
9680e563
 
c76f89c6
 CHANGES IN VERSION 2.11.3
 -------------------------
6523a409
  o Read ion injection time from mzML files and add it to the data.frame returned
    by the header function.
9680e563
 
0142c1f1
 CHANGES IN VERSION 2.11.2
 -------------------------
  o New getScanHeaderInfo and getAllScanHeaderInfo implementations for the pwiz
    backend. Fixes issue #106 and issue #216 in MSnbase.
 
c6961d97
 CHANGES IN VERSION 2.11.1
a5c2bff9
 -------------------------
  o Change default I/O backend from Ramp to pwiz.
 
c6961d97
 CHANGES IN VERSION 2.11.0
 -------------------------
  o Bioc devel 3.6
9680e563
 
c6961d97
 CHANGES IN VERSION 2.10.0
 -------------------------
  o Bioc release 3.5
 
ed4df747
 CHANGES IN VERSION 2.9.11
 -------------------------
  o Restore -fpermissive flag on windows
 
8d673794
 CHANGES IN VERSION 2.9.10
 -------------------------
9680e563
  o Remove register keyword causing WARNING.
8d673794
 
3b3f2b33
 CHANGES IN VERSION 2.9.9
 ------------------------
  o Remove C++ references to cout/cerr/abort in pwiz code (see issue #89)
 
8fe12ac0
 CHANGES IN VERSION 2.9.8
 ------------------------
  o Fix reading spectrum polarity from mzML using pwiz backend, closes #81
 
cf585d82
 CHANGES IN VERSION 2.9.7
7ddb3de3
 ------------------------
33fdcf92
  o Fix compilation on macOS
7ddb3de3
 
cf585d82
 CHANGES IN VERSION 2.9.6
 ------------------------
  o Compile on macOS, but hdf5 path hard-coded
9680e563
 
3838a36d
 CHANGES IN VERSION 2.9.5
 ------------------------
  o Add missing boost/config/platform/macos.hpp <2017-01-25 Wed>
9680e563
 
96ea799f
 CHANGES IN VERSION 2.9.4
 ------------------------
  o New chromatogram accessors (for pwiz backend only) - see issue #73
    <2017-01-23 Mon>
9680e563
 
098e214c
 CHANGES IN VERSION 2.9.3
 ------------------------
  o bump to new Rcpp 0.12.8 version <2017-01-05 Thu>
9680e563
 
7afad47d
 CHANGES IN VERSION 2.9.2
 ------------------------
90c37551
  o cleanup CFLAGS and LIBS for libnetcdf
  o add file missing for oaxaca (Apple clang 3.5svn / 600.0.57)
9680e563
 
94d4ecf5
 CHANGES IN VERSION 2.9.1
 ------------------------
1b4b2b90
  o Delete RAMPAdapter pointer in pwiz backend (by jotsetung)
    <2016-11-20 Sun>
  o Use spectra in addition to peaks (see issue #15)
    <2016-12-09 Fri>
  o New pwiz (commit 946d23d75dc70a7a4913d8e05e3d59b9255f278e)
94d4ecf5
 
 CHANGES IN VERSION 2.9.0
 ------------------------
1b4b2b90
  o Bioc devel 3.5
9680e563
 
94d4ecf5
 CHANGES IN VERSION 2.8.0
 ------------------------
1b4b2b90
  o Bioc release 3.4
 
fba9b2eb
 CHANGES IN VERSION 2.7.13
 -------------------------
  o Fix waring on OSX (see issue #60)
9680e563
 
2d793308
 CHANGES IN VERSION 2.7.12
 -------------------------
  o Fixing last warning on MacOS
9680e563
 
d0a950cb
 CHANGES IN VERSION 2.7.11
 -------------------------
  o Fix failing example and test due to updated msdata::protemics data
9680e563
 
c06b04dc
 CHANGES IN VERSION 2.7.10
 -------------------------
  o compiling and loading on Windows (hopefully)
9680e563
 
76f210d0
 CHANGES IN VERSION 2.7.9
 ------------------------
9680e563
  o Updating Makevars.win
 
1c76b618
 CHANGES IN VERSION 2.7.8
 ------------------------
  o compile pwiz when installing on Windows <2016-09-26 Mon>
9680e563
 
7294305b
 CHANGES IN VERSION 2.7.7
 ------------------------
  o add netcdf static lib; potential incompatibility <2016-09-22 Thu>
9680e563
 
fdd95c08
 CHANGES IN VERSION 2.7.6
 ------------------------
  o new isolationWindow accessor <2016-09-23 Fri>
9680e563
 
8516f59b
 CHANGES IN VERSION 2.7.5
 ------------------------
  o Apply Martin's free/delete patch - see
    https://github.com/sneumann/mzR/issues/52 <2016-09-22 Thu>
9680e563
 
d2f35232
 CHANGES IN VERSION 2.7.4
 ------------------------
  o upgrade pwiz
  o ensure file connections are cleaned and closed for pwiz.
 
c568e1b8
 CHANGES IN VERSION 2.7.1
 ------------------------
  o revert added compiler switch, and fixed boost code instead to get rid of warnings
 
aef61fd4
 CHANGES IN VERSION 2.5.8
 ------------------------
  o fix compiler Warning with clang on MacOS
 
428ab945
 CHANGES IN VERSION 2.5.7
 ------------------------
  o fix compilation with clang on MacOS
 
 CHANGES IN VERSION 2.5.6
 ------------------------
d2f35232
  o fix compilation on new windows toolchain,
    thanks to Kasper Daniel Hansen and Dan Tenenbaum
428ab945
 
53fd2127
 CHANGES IN VERSION 2.5.3
 ------------------------
  o new pwiz.version() function returning the pwiz backend version (KK)
d2f35232
 
ea164399
 CHANGES IN VERSION 2.5.2
 ------------------------
  o Provide pre-compiled windows libraries, again thanks to Qiang Kou (KK)
 
 CHANGES IN VERSION 2.5.1
 ------------------------
  o Import Boost 1.59, thanks to Qiang Kou (KK)
 
b5ea5359
 CHANGES IN VERSION 2.3.3
 ------------------------
  o bump to new Rcpp 0.12.1 version <2015-09-29 Tue>
 
d48d2467
 CHANGES IN VERSION 2.3.2
 ------------------------
  o Fix typo/bug in peaks,mzRpwiz <2015-07-31 Fri>
d2f35232
 
ccd35ca5
 CHANGES IN VERSION 2.3.1
 ------------------------
  o update Rcpp version message to point to support site <2015-05-08 Fri>
 
c0ed45bf
 CHANGES IN VERSION 2.1.12
 -------------------------
  o Remove superfluous BiocGenerics in Suggests [2015-03-01 Sun]
  o Merged KK's Makefile to generate pwiz lib for windows [2015-03-01 Sun]
 
3820996d
 CHANGES IN VERSION 2.1.11
 -------------------------
  o Using generics from BiocGenerics (fileName, score) and ProtGenerics
    [2015-02-28 Sat]
d2f35232
 
8ee0319c
 CHANGES IN VERSION 2.1.10
3820996d
 -------------------------
d2f35232
  o Add instrumentInfo() and runInfo() for CDF backend (closes issue #22)
8ee0319c
  o Add precompiled libpwiz.a to reduce compile time on Windows (closes issue #21), thanks to KK
 
0cfbe1c6
 CHANGES IN VERSION 2.1.9
 ------------------------
  o Fix a compiler warning on OSX in the pep_XML serialiser
 
e9591692
 CHANGES IN VERSION 2.1.8
 ------------------------
  o Fix build on unix with netcdf.h in non-standard location
 
942363c1
 CHANGES IN VERSION 2.1.7
 ------------------------
  o Fix score segfault (see issue #18) and remove usage of ListBuilder.
  o Update unit test to reflext new score code.
 
38bfdd2e
 CHANGES IN VERSION 2.1.6
 ------------------------
  o adding an acquisitionNum column to psms (closes issue #17)
    [2015-02-05 Thu]
d2f35232
 
22c28dec
 CHANGES IN VERSION 2.1.5
 ------------------------
  o don't print '1' to the console when calling get3Dmap
    [2015-01-29 Thu]
  o add sequence length in psms output (closes issue #19)
    [2015-02-04 Wed]
d2f35232
 
27a13c32
 CHANGES IN VERSION 2.1.4
 ------------------------
  o documentation and vignette: mzIdentML version 1.1 support only
    [2015-01-23 Fri]
 
d3505c7e
 CHANGES IN VERSION 2.1.1
27a13c32
 ------------------------
d3505c7e
  o remove dependency on faahKO
 
45442bd7
 CHANGES IN VERSION 1.99.4
 -------------------------
  o don't run pwiz example [2014-10-05 Sun]
 
a6e58eed
 CHANGES IN VERSION 1.99.3
 -------------------------
  o revising unit testing and using suggested convention as described
    in Bioc unitTesting guidelines  [2014-10-02 Thu]
 
82765e37
 CHANGES IN VERSION 1.99.2
 -------------------------
  o bump to new Rcpp 0.11.3 version
 
84a4b166
 CHANGES IN VERSION 1.99.1
 -------------------------
  o annoucning pwiz in vignette and that it will become the default
    backend in Bioc 3.1 [2014-09-25 Thu]
d2f35232
  o adding a dummy close for pwiz backend to avoid breaking code
84a4b166
    that properly closes the previous ramp backend [2014-09-21 Sun]
  o Not using ListBuilder to make psms data.frame and fix segfautls,
    via KK [2014-09-27 Sat]
 
 CHANGES IN VERSION 1.99.0
 -------------------------
  o New pwiz backend and support for mzid, contributed by Qiang Kou as
    part of GSoC 2014.
  o Using BiocStyle for vignette [2014-08-26 Tue]
 
b4988306
 CHANGES IN VERSION 1.11.11
 -------------------------
  o Remove superflouus library call in unitTests, should fix R CMD check on windows
 
2cb1cfe7
 CHANGES IN VERSION 1.11.10
 -------------------------
  o Remove redundant columns when returning several spectra
 
439798f0
 CHANGES IN VERSION 1.11.9
 -------------------------
  o Fix a bug in header() returning too few columns, introduced during 1.11.7
 
6eeda73b
 CHANGES IN VERSION 1.11.8
 -------------------------
  o Fix a windows compile problem by early importing Rcpp.h
 
  CHANGES IN VERSION 1.11.7
b4656b2d
 -------------------------
  o include polarity information into header() output
 
761ed518
 CHANGES IN VERSION 1.11.6
 -------------------------
d2f35232
  o removed one redundant parser which fixes inconsistencies
761ed518
    in the scan headers
 
cf3a7a3d
 CHANGES IN VERSION 1.11.5
 -------------------------
  o restored the polarity extraction
 
38167821
 CHANGES IN VERSION 1.11.4
252028c2
 -------------------------
38167821
  o restored the old ramp Interface
252028c2
 
9b4d7758
 CHANGES IN VERSION 1.11.2
 -------------------------
  o adding missed src files [2014-05-28 Tue]
3201907f
  o merging master [2014-05-30 Fri]
9b4d7758
 
5b27a21e
 CHANGES IN VERSION 1.11.1
 -------------------------
  o update pwiz/boost to support Maverick [2014-05-26 Mon]
 
1fc8bbc2
 CHANGES IN VERSION 1.9.8
 ------------------------
  o Pointing to the relevant wiki page in the Rcpp compiler/linker
    warning [2014-04-03 Thu]
 
 CHANGES IN VERSION 1.9.7
 ------------------------
  o modify to new biocViews to DESCRIPTION file (s.arora)
 
8fea2c26
 CHANGES IN VERSION 1.9.6
 ------------------------
  o import all of Rcpp to avoid warnings in reverse dependencies <2014-02-14 Fri>
 
ad67219b
 CHANGES IN VERSION 1.9.3
 ------------------------
  o fix a string in ramp.cpp to enable compilation on clang-3.4
 
8ab182b2
 CHANGES IN VERSION 1.9.2
 ------------------------
d2f35232
  o version bump for Rcpp 0.10.6 <2013-10-30 Wed>
8ab182b2
 
86b41351
 CHANGES IN VERSION 1.9.1
 ------------------------
  o moved vignettes to /vignettes <2013-10-17 Thu>
 
7eedcc41
 CHANGES IN VERSION 1.7.4
 ------------------------
  o version bump for Rcpp 0.10.5 <2013-10-02 Wed>
 
ce6e713e
 CHANGES IN VERSION 1.7.3
 ------------------------
  o Fix a compile error with the clang-3.3 compiler
 
392c4f0e
 CHANGES IN VERSION 1.7.2
 ------------------------
  o updated Rcpp number mismatch warning to include versions <2013-08-01 Thu>
 
854e9b40
 CHANGES IN VERSION 1.7.1
 ------------------------
  o version bump for Rcpp 0.10.4
 
1fadbd0e
 CHANGES IN VERSION 1.5.9
 ------------------------
  o version bump for Rcpp 0.10.3
 
e910d369
 CHANGES IN VERSION 1.5.8
 ------------------------
  o version bump for Rcpp 0.10.2
 
09d18df3
 CHANGES IN VERSION 1.5.7
 ------------------------
d2f35232
  o only load Rcpp modules after checking for Rcpp
09d18df3
    version conflict (DT)
 
e839ff21
 CHANGES IN VERSION 1.5.6
510a5db8
 ------------------------
e839ff21
  o Explicitely call utils::packageVersion() to avoid warning (SN) <2012-12-15 Sat>
 
 CHANGES IN VERSION 1.5.5
 ------------------------a
510a5db8
  o Added utils to Depends (SN) <2012-12-14 Fri>
 
593dedb6
 CHANGES IN VERSION 1.5.4
 ------------------------
  o requiring Rcpp (>= 0.10.1) LG <2012-12-05 Wed>
d2f35232
  o catching Rcpp build-time version (thanks to
593dedb6
    Dan for help!) LG <2012-12-05 Wed>
d2f35232
  o checking Rcpp installed vs building versions
593dedb6
    and warn if these are different. LG <2012-12-05 Wed>
d2f35232
 
901581c4
 CHANGES IN VERSION 1.5.3
79bc5c6b
 ------------------------
d2f35232
  o bumping version to force rebuild due to Rcpp
    change LG <2012-12-05 Wed>
  o added NEWS file <2012-12-05 Wed>