github.com/OpenMS/OpenMS commits | Ecosyste.ms: OpenCollective

Reimplemented DataProcessing and Software meta data for MzML

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3931 6adb6e08-d915-0410-9...

9a70618b130366ba583073cf94ac3b43a9d233f7 authored almost 16 years ago by Marc Sturm <[email protected]>

added support for int/double lists in class Param

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3930 6adb6e08-d915-0410-9...

1526baee00127ddb0f0d1e2756ff1c705ace2e57 authored almost 16 years ago by David Wojnar <[email protected]>

renamed NNLS to NonNegativeLeastSquaresSolver

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3929 6adb6e08-d915-0410-9...

aa36a607da110087ac011ec296b59144636fa0b9 authored almost 16 years ago by Chris Bielow <[email protected]>

fixed test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3928 6adb6e08-d915-0410-9...

ef3aba3a37e26f620d662a6cfaee75a2660cfbae authored almost 16 years ago by Chris Bielow <[email protected]>

Fixed several warnings and TEST Makefile (Itraq test build errors)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3927 6adb6e08-d915-0410-9...

9ca8aa54c330309dd30c3e8ba611f5da6402a631 authored almost 16 years ago by Marc Sturm <[email protected]>

Merged MzDataExpSettHandler into MzDataHandler; Renamed test files with xml extension to proper extensions; minor other fixes (warnings, featureXML descriptions)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3926 6adb6e08-d915-0410-9...

5713c7a8f978b5223849c5e5129d7af89334c503 authored almost 16 years ago by Marc Sturm <[email protected]>

Fixed test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3925 6adb6e08-d915-0410-9...

863ad00de9d04d578af7ca557f5e3f507b5b9da6 authored almost 16 years ago by Marc Sturm <[email protected]>

added a newline at end

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3924 6adb6e08-d915-0410-9...

45d7396aadf74f2e13cbf96757b900ffbbea4a42 authored almost 16 years ago by Clemens Gröpl <[email protected]>

de-template-ized the superimposer classes (PoseClusteringAffineSuperimposer PoseClusteringShiftSuperimposer BaseSuperimposer)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3923 6adb6e08-d915-0410-9...

6b5770969d400b098f0cb988ca7f72e546ecf4d5 authored almost 16 years ago by Clemens Gröpl <[email protected]>

FeatureMap is not longer derived from ExperimentalSettings; TOPP: improved handling of document identifiers in FileInfo and TOPPView

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3922 6adb6e08-d915-0410-9...

e4b5c025abc757513555eaaf9246e82f2132322d authored almost 16 years ago by Marc Sturm <[email protected]>

small bugfix

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3921 6adb6e08-d915-0410-9...

1d90298c0aa3e331c04fadebd10df7f804058cf5 authored almost 16 years ago by Chris Bielow <[email protected]>

enabled #warning only for GCC where it is known to be supported

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3920 6adb6e08-d915-0410-9...

a94b2f9eb3121a949abed837dc4eaf8b0b3e2bbf authored almost 16 years ago by Clemens Gröpl <[email protected]>

added "non-negative least squares" (NNLS) fitting to MATH; applied it to iTRAQ

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3919 6adb6e08-d915-0410-9...

8e4b7bf2fe29a871f71f7c17e033ae68dc006e11 authored almost 16 years ago by Chris Bielow <[email protected]>

updates to support new NIST libraries

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3918 6adb6e08-d915-0410-9...

60ce3f48d1ffd5785ccc9ea51d06e88dd9c5975f authored almost 16 years ago by Andreas Bertsch <[email protected]>

added specific carbamylation of lysine as fake term

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3917 6adb6e08-d915-0410-9...

69ef9e5a7b06308d8645dc4e2a0bb6f34100b824 authored almost 16 years ago by Andreas Bertsch <[email protected]>

changes losses for Arginine

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3916 6adb6e08-d915-0410-9...

fb89f00a518e8eaaeb51dd1e884096301fea29d5 authored almost 16 years ago by Andreas Bertsch <[email protected]>

updates to PILIS

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3915 6adb6e08-d915-0410-9...

833507e12b768ec8d1c0925d55880ae50b23198f authored almost 16 years ago by Andreas Bertsch <[email protected]>

changed classes -> Clustering

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3914 6adb6e08-d915-0410-9...

bb5892fa1c98305bfd0ccefcc715f13e57dc94e1 authored almost 16 years ago by Mathias Walzer <[email protected]>

decharged m/z difference

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3913 6adb6e08-d915-0410-9...

1ed984f7ab8775eedf492aa68d6a5d580195719f authored almost 16 years ago by Marc Sturm <[email protected]>

added clustering analysis facilities and revisited clustering algorithms

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3912 6adb6e08-d915-0410-9...

deeb6e2732428cb338da7317ad05992fd3f1cfc5 authored almost 16 years ago by Mathias Walzer <[email protected]>

Docu fix

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3911 6adb6e08-d915-0410-9...

40eb36408703de61612d2887a03743c35619a1bb authored almost 16 years ago by Marc Sturm <[email protected]>

New version of LabeledEval tool

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3910 6adb6e08-d915-0410-9...

3b3b9ccb155e4c6c16f7610782455f67c9d1fe06 authored almost 16 years ago by Marc Sturm <[email protected]>

Added feature editing functionality to TOPPView tutorial

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3909 6adb6e08-d915-0410-9...

c759d3584a66dbfe21b3a2a2740f4e1d9a67162b authored almost 16 years ago by Marc Sturm <[email protected]>

Fixed two minor GUI errors

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3908 6adb6e08-d915-0410-9...

69b40289f56f177eec635e4d41846be714d30ad0 authored almost 16 years ago by Marc Sturm <[email protected]>

Fixed test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3907 6adb6e08-d915-0410-9...

f3862f7e2443e0a423827b51243db660dba31f9d authored almost 16 years ago by Marc Sturm <[email protected]>

Improved integration of new TOPP tool

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3906 6adb6e08-d915-0410-9...

ca34f245e59c3bcfbc8b18f181846fd5be34ef15 authored almost 16 years ago by Marc Sturm <[email protected]>

FFEval: added more statistics; minor other changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3905 6adb6e08-d915-0410-9...

9a7dfb5cb08ae93dce32b5c91dffcbc223706622 authored almost 16 years ago by Marc Sturm <[email protected]>

part 2 of : writtenDigits re-re-visited :-P; more statistics in FileInfo (esp. for ConsensusXML); many small things in FEATUREFINDER

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3904 6adb6e08-d915-0410-9...

c00302df4d29db4882792409872bcc3e93c9dfdd authored almost 16 years ago by Clemens Gröpl <[email protected]>

writtenDigits re-re-visited :-P; more statistics in FileInfo (esp. for ConsensusXML); many small things in FEATUREFINDER

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3903 6adb6e08-d915-0410-9...

f288cfe4d90b337057f8df7fe683fc52d9265c71 authored almost 16 years ago by Clemens Gröpl <[email protected]>

fixed test on windows (numeric deviation)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3902 6adb6e08-d915-0410-9...

0866f83a064e42b5d9aa2620556db1955a9ff1d7 authored almost 16 years ago by Chris Bielow <[email protected]>

introduce iTRAQ quantification (experimental status)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3901 6adb6e08-d915-0410-9...

8e6730b4c9f29e4581f9bb23167131302b62632e authored almost 16 years ago by Chris Bielow <[email protected]>

Spectrum2DCanvas: Moving features is now possible

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3899 6adb6e08-d915-0410-9...

aa9c9b0bd10917cb7f8a2b8cea11f5a6362538d8 authored about 16 years ago by Marc Sturm <[email protected]>

FFEval: Added intensity statistics

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3898 6adb6e08-d915-0410-9...

03e71bd6ed983106249a14e0daa2c5734d9db65b authored about 16 years ago by Marc Sturm <[email protected]>

TOPPView: When storing visible data, tandem-MS spectra are no longer cropped in m/z dimension. Instead those those spectra with a precursor in the m/z range remain

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3897 6adb6e08-d915-0410-9...

81b927dcee8c515fbff2d1499b60d3d9d1a344c8 authored about 16 years ago by Marc Sturm <[email protected]>

removed models from TOPP tools

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3896 6adb6e08-d915-0410-9...

595ada87bb564dad764b300a7f436eb7b7f1192a authored about 16 years ago by Andreas Bertsch <[email protected]>

new NL models

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3895 6adb6e08-d915-0410-9...

78086192a374a2aea82e04f54a034ca14de7a979 authored about 16 years ago by Andreas Bertsch <[email protected]>

changes to PILIS model

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3894 6adb6e08-d915-0410-9...

cb968c7ade735b8b239099b0375b18711021ce21 authored about 16 years ago by Andreas Bertsch <[email protected]>

SpectrumCanvas: fixed minor bug; Spectrum2DCanvas: snap works on individual layers now; FFPP: improved function sampling of gnuplot output

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3893 6adb6e08-d915-0410-9...

fee5696659e94f02162c941a6d360d9e75af32ce authored about 16 years ago by Marc Sturm <[email protected]>

minor

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3892 6adb6e08-d915-0410-9...

d8666a03a9bcbeb0bfbac1bc6f9f4dae7664d7a9 authored about 16 years ago by Clemens Gröpl <[email protected]>

introduced precisionWrapper

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3891 6adb6e08-d915-0410-9...

efaf299603aafd632e3616821c059be818183613 authored about 16 years ago by Clemens Gröpl <[email protected]>

ok for BOTH Px and Mx ground truth data sets now

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3890 6adb6e08-d915-0410-9...

896dccc863f0aeaf7e6b5ac6a3b878114ff05e74 authored about 16 years ago by Clemens Gröpl <[email protected]>

initial

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3889 6adb6e08-d915-0410-...

2b5c6d3210c16eb97d7077de8e68ebc2648854c4 authored about 16 years ago by Clemens Gröpl <[email protected]>

Windows does not really support long double. Changed written_precision_long_double accordingly (on Windows platforms).

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3888 6adb6e08-d915-0410-9...

fba6c4a3edcb778fc168ebc955409ecd08cee305 authored about 16 years ago by Clemens Gröpl <[email protected]>

Microsoft treats long double just like double, but MinGW has another opinion. String_test will fail intentionally (just for now) because I want to see String_test -V output on all platforms.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3887 6adb6e08-d915-0410-9...

21b8bf0b41cefa194bf0cd2a3646da73b7401498 authored about 16 years ago by Clemens Gröpl <[email protected]>

fixed wrong test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3886 6adb6e08-d915-0410-9...

70479adf43dbc7ad45c8126a239023afa5444b23 authored about 16 years ago by Andreas Bertsch <[email protected]>

Residue now supports arbitrary number of loss types; added new precursor model to PILIS (incomplete)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3885 6adb6e08-d915-0410-9...

d090cf3238737b9be7fd530e682010a70b718c96 authored about 16 years ago by Andreas Bertsch <[email protected]>

changed model file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3884 6adb6e08-d915-0410-9...

ee2200b8be65875f3ac43014b96f80db9130a603 authored about 16 years ago by Andreas Bertsch <[email protected]>

updates to PILIS; new precursor model (incomplete)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3883 6adb6e08-d915-0410-9...

45388347a2debf6f790875a400aacbd43f66e732 authored about 16 years ago by Andreas Bertsch <[email protected]>

added new member getNumberOf to AASequence to count aa occurrences; changed handling of X origin modifications (first aa specific is chosen if any)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3882 6adb6e08-d915-0410-9...

bd72d65942d81cc8ba08a8a0960290de9ebd0974 authored about 16 years ago by Andreas Bertsch <[email protected]>

added homology and identity thresholds as meta value

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3881 6adb6e08-d915-0410-9...

bf2c823b7b4201d16264b68eab0f51f5cabb7f0f authored about 16 years ago by Andreas Bertsch <[email protected]>

fixed unsigned vs. signed warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3880 6adb6e08-d915-0410-9...

6aa9c9d131832c825d2c2a78035910c4ac60e183 authored about 16 years ago by Clemens Gröpl <[email protected]>

investigating long double issues

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3879 6adb6e08-d915-0410-9...

ac2e61863788c3efe1d6103872310ba53326621d authored about 16 years ago by Clemens Gröpl <[email protected]>

typos in docu mainly

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3878 6adb6e08-d915-0410-9...

7c7312fa8a5bedd152e836dc982a8814e6d625e0 authored about 16 years ago by Chris Bielow <[email protected]>

FFPP: improved calculation of monoisotopic masses

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3877 6adb6e08-d915-0410-9...

fdc0b6c22f43801d18a9170cdbe3bec6053f8e35 authored about 16 years ago by Marc Sturm <[email protected]>

String_test is not fixed, but I want to know written_digits_long_double on platform where test fails

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3876 6adb6e08-d915-0410-9...

70a9078d732d4222175777c6bb54a5aaeea855b5 authored about 16 years ago by Clemens Gröpl <[email protected]>

String_test is not fixed, but I want to know written_digits_long_double on platform where test fails

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3875 6adb6e08-d915-0410-9...

54ffca6522816bc9dda74229ecb1776060553e5d authored about 16 years ago by Clemens Gröpl <[email protected]>

fixed runtests for GNU bash, version 3.2.39(1)-release-(x86_64-pc-linux-gnu)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3874 6adb6e08-d915-0410-9...

8e2401c59c130d57327a01730188f3cc0a6af058 authored about 16 years ago by Chris Bielow <[email protected]>

METAINFO

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3872 6adb6e08-d915-0410-9...

b0a6876595dd48af304ac3f106e057ed8f71194e authored about 16 years ago by Clemens Gröpl <[email protected]>

Unified precision in written output, METAINFO now in double precision, fixed some non-schematic .featureXML files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3871 6adb6e08-d915-0410-9...

fcd44834f90ef79110f1bd220588013f2c0394f9 authored about 16 years ago by Clemens Gröpl <[email protected]>

FFPP: Fixed tests

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3869 6adb6e08-d915-0410-9...

b81f8acaddf4f8fba7cfbaed7f410f7759c0681b authored about 16 years ago by Marc Sturm <[email protected]>

FFPP: minor default parameter imrovement

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3868 6adb6e08-d915-0410-9...

ceccdba18b6698e178f7bd29cb5c03542d898a34 authored about 16 years ago by Marc Sturm <[email protected]>

PPFF: minor performance impovements

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3865 6adb6e08-d915-0410-9...

6b5de95d3536d5a95bdf8cd3ec688d6975ab6a9a authored about 16 years ago by Marc Sturm <[email protected]>

Final version of watershed FF (BSc thesis is finished)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3863 6adb6e08-d915-0410-9...

9f894c5775223fac7f95724ee3ea5d5fe30ba6f1 authored about 16 years ago by Marc Sturm <[email protected]>

FFPP: improved fitting start value estimation => slighlty better performance (quality and speed)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3862 6adb6e08-d915-0410-9...

93dd222993aacb8593d3d1dac67e1ff3f59b2c7d authored about 16 years ago by Marc Sturm <[email protected]>

FFPP: added execution time to output

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3861 6adb6e08-d915-0410-9...

dfde631bcea594d98ef86051911cbc60b52be94d authored about 16 years ago by Marc Sturm <[email protected]>

fixed a bug (observed in STL debug mode)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3860 6adb6e08-d915-0410-9...

ab67fcff32760279498371ccc707eae0404539c0 authored about 16 years ago by Clemens Gröpl <[email protected]>

FFPP: Added parameters for fitting and optimized them => at least twice as fast

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3859 6adb6e08-d915-0410-9...

a3ad30c4e920ea1a8faf92ed536a1bc93230da5b authored about 16 years ago by Marc Sturm <[email protected]>

removed Exception declaration from TOFCalibration

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3858 6adb6e08-d915-0410-9...

a1465028a523f6f590b800a5a7e8ca9a35a79328 authored about 16 years ago by Alexandra Zerck <[email protected]>

SubOrdinates -> Subordinates

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3857 6adb6e08-d915-0410-9...

3bf54d835d55ca808d727cdcd4ee8adbd8e1aa04 authored about 16 years ago by Clemens Gröpl <[email protected]>

re-added senseless throw()

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3856 6adb6e08-d915-0410-9...

ecef1f14374f20abede0abef7b1633b0ce44ef1a authored about 16 years ago by Clemens Gröpl <[email protected]>

removed a throw()

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3855 6adb6e08-d915-0410-9...

0b776e95ef5971b3089e95f3834119547bbec6c4 authored about 16 years ago by Clemens Gröpl <[email protected]>

renamed SubOrdinate to Subordinate, added tests for new accessors, removed unnecessary inline keywords

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3854 6adb6e08-d915-0410-9...

35e516ad2943c08f71a7ee3b2a207da15789eaf6 authored about 16 years ago by Clemens Gröpl <[email protected]>

FFPP: using features subordinates

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3851 6adb6e08-d915-0410-9...

fa600a542f5d6472d29e96ea7e19a5bd10650d16 authored about 16 years ago by Marc Sturm <[email protected]>

various small changes (too many topics :-P)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3850 6adb6e08-d915-0410-9...

41b8ad091f7337fc92c0677d5137cf38ce1ce434 authored about 16 years ago by Clemens Gröpl <[email protected]>

removed obsolete PairwiseSuperposition_1_* files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3849 6adb6e08-d915-0410-9...

f76b71c50d3c4bd732ac777db57ef60924f50c57 authored about 16 years ago by Clemens Gröpl <[email protected]>

removed empty <model></model> tags

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3848 6adb6e08-d915-0410-9...

93e2604e85cbed027738b289f32dadf5b054d6ca authored about 16 years ago by Clemens Gröpl <[email protected]>

removed empty <model></model> tags

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3847 6adb6e08-d915-0410-9...

d640caff5cd4301f9c3603d707c47a51025b88d3 authored about 16 years ago by Clemens Gröpl <[email protected]>

DSpectrum: Peak data is no longer stored in a container, but DSpectrum is now derived from std::vector<PeakT,AllocT>. The container type is no longer a template argument

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3845 6adb6e08-d915-0410-9...

255de07055152ca60e8dfdb0a3e6fee321a32561 authored about 16 years ago by Marc Sturm <[email protected]>

some TODOs and typo-fixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3844 6adb6e08-d915-0410-9...

6265d870e9047ce8dfb5189ac4d33981077d9fd4 authored about 16 years ago by Chris Bielow <[email protected]>

updated win-install instructions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3843 6adb6e08-d915-0410-9...

a61e17da296d4d34d038bde6dbc0b4efc1c84890 authored about 16 years ago by Chris Bielow <[email protected]>

forgot to remove an #include <...revision.h> -- sorry!

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3842 6adb6e08-d915-0410-9...

73c29fa3e05c15d223aa924ba82dea4f18a40fbf authored about 16 years ago by Clemens Gröpl <[email protected]>

Format: When skipping spectra with the MS level filter, the original spectrum number is written to the spectrum meta data; FFPP: the original spectrum number from meta data is used for apex spectrum number (if present)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3841 6adb6e08-d915-0410-9...

300f42b4b619e830bd25fe395a56fef89cd356d3 authored about 16 years ago by Marc Sturm <[email protected]>

Removed DPeakArray and moved the functionality to the derived class(es)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3840 6adb6e08-d915-0410-9...

94e4c954b1e4512eea7b561600d5fd0eef36ff61 authored about 16 years ago by Marc Sturm <[email protected]>

modified xmls to fit the new parser

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3839 6adb6e08-d915-0410-9...

d9e5beb5b4e94ead8727ae5ef73fc96c5b770b30 authored about 16 years ago by Chris Bielow <[email protected]>

simplified build process for VersionInfo.C, this should fix issues with make -j

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3838 6adb6e08-d915-0410-9...

44bf932e2137782f6914a08dd4a01335da5755d9 authored about 16 years ago by Clemens Gröpl <[email protected]>

remove throws()

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3837 6adb6e08-d915-0410-9...

87436d1f177fccdba39c3fafd2abff48369998e7 authored about 16 years ago by Chris Bielow <[email protected]>

forgot a file...

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3836 6adb6e08-d915-0410-9...

ed405fab963959c15780862830fbb9bc193c46dc authored about 16 years ago by Chris Bielow <[email protected]>

added "subordinate" features to FeatureXML and Feature(); changed ModelFitter() to write them; added DocumentIdentfier to Feature and Consensus

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3835 6adb6e08-d915-0410-9...

d6cc820e978b7a7dbdc59bd716a4b32453d34441 authored about 16 years ago by Chris Bielow <[email protected]>

propagate S/N parameters to FeaFi and PeaPi

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3834 6adb6e08-d915-0410-9...

4b5b404c08fd4dbf54cbeb8834d7185b70ec5b3a authored about 16 years ago by Chris Bielow <[email protected]>

ConsensusMap: no longer derived from DPeakArray

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3833 6adb6e08-d915-0410-9...

cf5e0c9dcc4ae48087333c7d9992d08db1ded460 authored about 16 years ago by Marc Sturm <[email protected]>

KERNEL: replaced NthPosition sorting by soring by MZ and RT

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3832 6adb6e08-d915-0410-9...

7c451aa2b890ca4f5043ceda8ad2606bd02c5e2a authored about 16 years ago by Marc Sturm <[email protected]>

Removed throw declaration

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3831 6adb6e08-d915-0410-9...

0ef2bfdcf8b35905c7bd29fa1a912792858b2636 authored about 16 years ago by Marc Sturm <[email protected]>

FFEval: imroved matching, added intensity correlation; StatisticsFunctions: imroved interfaces and implementations

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3830 6adb6e08-d915-0410-9...

5aaeb8c58efbe4bff48696e6074967f00ee957c5 authored about 16 years ago by Marc Sturm <[email protected]>

FFPP: moved log file to debug folder; FFEval: added first functional version; FileInfo: added feature charge statistics

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3829 6adb6e08-d915-0410-9...

ac9c89d4ff01761f1376fa84f43368737a289520 authored about 16 years ago by Marc Sturm <[email protected]>

fixed copy&past error in comment

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3828 6adb6e08-d915-0410-9...

f3ce369a52d3fdcdf421b8530b9ecf4cf34eece1 authored about 16 years ago by Clemens Gröpl <[email protected]>

FFPP: Faster resolving of overlpaing features; FeatureMap: added reversed sorting by intensity

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3827 6adb6e08-d915-0410-9...

162d51307552ace5d66db8efb6a26c5e7f4767bd authored about 16 years ago by Marc Sturm <[email protected]>

added revision number

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3826 6adb6e08-d915-0410-...

66621872a290109ea914a8ee7aebed4496452be7 authored about 16 years ago by Clemens Gröpl <[email protected]>

sorry^1000, I had deleted two lines unintentionally. FIXED.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3825 6adb6e08-d915-0410-...

32fd39de66c8a076eee57f6b557c4741cf7c99f2 authored about 16 years ago by Clemens Gröpl <[email protected]>

Added revision numbers to doxygen documentation + some small fixes/improvements.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3824 6adb6e08-d915-0410-9...

3dc419fcf899b30f1f3dd2aa343654162fce0721 authored about 16 years ago by Clemens Gröpl <[email protected]>

FFPP: Added RT apex scan to output

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3823 6adb6e08-d915-0410-9...

bf04ff4efa6d2b033f04aef635ae4ddf5c08c0f3 authored about 16 years ago by Marc Sturm <[email protected]>