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

Moved Fitters to Math namespace

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3715 6adb6e08-d915-0410-9...

1bb2b36f5974ca788e13722d074c1713223b6247 authored about 16 years ago by Marc Sturm <[email protected]>

Fixed formatting problem

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3714 6adb6e08-d915-0410-9...

6d53fc8b37af3282256e1dbc874d2daafc99fe03 authored about 16 years ago by Marc Sturm <[email protected]>

Updated Fitting: added linear fit without intercept and throwing of exceptions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3713 6adb6e08-d915-0410-9...

75946b7526b89e18fc1824c94851724b3560c2e2 authored about 16 years ago by Marc Sturm <[email protected]>

Added advanced flag to command line parameters

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3711 6adb6e08-d915-0410-9...

f144b0c0d924f604d458f38faa092c95da696c62 authored about 16 years ago by Marc Sturm <[email protected]>

Spectrum2DCanvas: Added custom coloring of features and painting features by pixel manipulation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3710 6adb6e08-d915-0410-9...

5d4ea088d07dd7fde929aea790c2faa72e0b26fa authored about 16 years ago by Marc Sturm <[email protected]>

added todo doc

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3709 6adb6e08-d915-0410-9...

9ccd78ab5af81b612bdae3b82d2f40a847300b62 authored about 16 years ago by Clemens Gröpl <[email protected]>

adde some more options to AASequence, Residue and ResidueDB; smaller bugfixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3706 6adb6e08-d915-0410-9...

58b466757f77509ef5c573eaee54dfa699cb85a5 authored about 16 years ago by Andreas Bertsch <[email protected]>

small improvements

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3705 6adb6e08-d915-0410-9...

ec58b3b5b3000def535b42f639adaeb5639983b9 authored about 16 years ago by NicoPfeifer <[email protected]>

Minor correction

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3704 6adb6e08-d915-0410-9...

2572158fda9c7e50cd29c89d60f9917568de5b45 authored about 16 years ago by NicoPfeifer <[email protected]>

Added q-value option to FalseDiscoveryRate

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3703 6adb6e08-d915-0410-9...

d41f59711abfd3e7e03b7bce32e309e34ed6574b authored about 16 years ago by NicoPfeifer <[email protected]>

updated change log

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3702 6adb6e08-d915-0410-9...

38c549460bb413cd7c687e4c57c629f7a9b163eb authored about 16 years ago by Marc Sturm <[email protected]>

TOPPView/Spectrum2DCanvas: Improved feature editing functionality (add/remove/merge)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3700 6adb6e08-d915-0410-9...

e6f41a4feffb2d6856c7b73b323e790bf58c9b65 authored about 16 years ago by Marc Sturm <[email protected]>

TOPPView: Added support for adding/removing features

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3699 6adb6e08-d915-0410-9...

e623f5bc5918f2ecee018ba824b4ad66f5d65f6b authored about 16 years ago by Marc Sturm <[email protected]>

Fixed bug 2064763

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3697 6adb6e08-d915-0410-9...

cfe2c6308c59353ccd77094466ab45350601a656 authored about 16 years ago by Marc Sturm <[email protected]>

TOPPView: added shortcuts for saving layers; when saving, the correct file name is porposed if the file was loaded from

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3696 6adb6e08-d915-0410-9...

0e6ac0c66b46e43b2d76fcd2d64f33c0d9ba8344 authored about 16 years ago by Marc Sturm <[email protected]>

removed array bound bug

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3695 6adb6e08-d915-0410-9...

4483d0ff22359a836477eeba55a28862c045e8aa authored about 16 years ago by NicoPfeifer <[email protected]>

LabeledPairFinder: added automatic estimation of RT parameters; Fitters: changed interface

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3694 6adb6e08-d915-0410-9...

13f87d5ee2b6c3f2b8db55fca4b7ceb2fa2e36e1 authored about 16 years ago by Marc Sturm <[email protected]>

added todo

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3693 6adb6e08-d915-0410-9...

8815fbc45f467afb7d87479bfe8519e7cc26f5ee authored about 16 years ago by Andreas Bertsch <[email protected]>

Changed restriction of sigma which had to occur if POBK was chosen

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3692 6adb6e08-d915-0410-9...

d1f4c471973e817cc1ebcc3af1be48bf07583017 authored about 16 years ago by NicoPfeifer <[email protected]>

Fixed handling of mzXML scanType attribute (bug 2061839)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3690 6adb6e08-d915-0410-9...

f943818528735d72812c8b16a2d554eb15059b83 authored about 16 years ago by Marc Sturm <[email protected]>

Added example parameters for different instruments to PP and FF documentation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3689 6adb6e08-d915-0410-9...

193e3b89e0d1c693ddd81ce0695e931961742fe1 authored about 16 years ago by Marc Sturm <[email protected]>

Increased precision of several file formats

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3687 6adb6e08-d915-0410-9...

151d6439ff7e253451ddda7fa9193518cd281e93 authored about 16 years ago by Marc Sturm <[email protected]>

extended Elements-DB

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3686 6adb6e08-d915-0410-9...

02db5d8f31f96fe3a9c10348d1f3a47d2788b35e authored about 16 years ago by Chris Bielow <[email protected]>

Fixed feature GoTo numbering

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3682 6adb6e08-d915-0410-9...

ce9e591f31135879d818c53fb270711b1e185b52 authored about 16 years ago by Marc Sturm <[email protected]>

corrected warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3680 6adb6e08-d915-0410-9...

e54bb4b6730c5afca3185958fc937ccbd580df95 authored about 16 years ago by Marc Sturm <[email protected]>

Fixed bug 2049423

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3676 6adb6e08-d915-0410-9...

68c9cbc8f6cc1c23465d3ea25d996a69b8d0c992 authored about 16 years ago by Marc Sturm <[email protected]>

added min_length option for IDFilter

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3675 6adb6e08-d915-0410-9...

9d3c42c957116b9f8ca1027b2b44db66e1d2c424 authored about 16 years ago by NicoPfeifer <[email protected]>

TOPPView: added filter for mzML to open dialog; Tutorial: improved images

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3673 6adb6e08-d915-0410-9...

a0316b3b83ae66400c69462b4ad9de6a829c2aa3 authored about 16 years ago by Marc Sturm <[email protected]>

Removed typos

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3671 6adb6e08-d915-0410-9...

111593a1fbb4fc5a2f84fe1a0dd38b9b34ef991c authored about 16 years ago by NicoPfeifer <[email protected]>

SVMWrapper test modification removed

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3670 6adb6e08-d915-0410-9...

a8607f6383c2ab1464f8f8d423ba63db0c95e28a authored about 16 years ago by NicoPfeifer <[email protected]>

Added functionality to RTModel and RTPredict

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3669 6adb6e08-d915-0410-9...

65dadaa211382686b4146842286dd1b30286f6d5 authored about 16 years ago by NicoPfeifer <[email protected]>

further improvements...

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3668 6adb6e08-d915-0410-...

64ac12e8093205f63a97b1d34ba0be36b37db164 authored about 16 years ago by Clemens Gröpl <[email protected]>

fixes and improvments

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3666 6adb6e08-d915-0410-9...

87e78a4acfac7060e667ca4fd3b208b6b508fc8d authored about 16 years ago by Clemens Gröpl <[email protected]>

Fixed bug with zooming in the 1D canvas which is rotated by 90 degrees in 2D projections view

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3665 6adb6e08-d915-0410...

b5106bfefd1efd8ed475cc4f22441dfc895d444c authored about 16 years ago by Johannes Veit <[email protected]>

ControlledVocabulary: added dupport for obsolete flag; MzMLFile: added warnings for obsolete CV terms

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3663 6adb6e08-d915-0410-9...

6b812e18a3d732f00e7ffa67c670eb03321c448c authored about 16 years ago by Marc Sturm <[email protected]>

fixed behaviour of isWritable to not empty the files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3662 6adb6e08-d915-0410-9...

d660bfbded742227ad3c8e72e41c65febfb25ed9 authored about 16 years ago by Andreas Bertsch <[email protected]>

hopefully fixed MascotAdapter.C for Windows

(assuming commandline options for nph-mascot.exe are identical).

git-svn-id: https://open-ms.s...

8481618145ebb0dbb922101bb3539c65dd99592b authored about 16 years ago by Chris Bielow <[email protected]>

Added new XML schemas and todos for support of file 'id' attributes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3659 6adb6e08-d915-0410-9...

8c0c1f01385a234d179d1d16d5b993d75fdb6b17 authored about 16 years ago by Marc Sturm <[email protected]>

updates coments in GammaDistributionFitter and GaussFitter.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3658 6adb6e08-d915-0410-...

39ea9e4656e589115735d424d041631191722bd1 authored about 16 years ago by Ole Schulz-Trieglaff <[email protected]>

minor fix

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3655 6adb6e08-d915-0410-9...

1f19d83d245d677d2cea77a3f2b4f090b744d29a authored about 16 years ago by Chris Bielow <[email protected]>

removed typo

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3654 6adb6e08-d915-0410-9...

bdadc9b977c25d255b4b574a7b39d00256ae85be authored about 16 years ago by NicoPfeifer <[email protected]>

removed typo

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3653 6adb6e08-d915-0410-9...

802bc3ce0f519d3780607853491eea487625b958 authored about 16 years ago by NicoPfeifer <[email protected]>

updated upload instructions for SF

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3647 6adb6e08-d915-0410-9...

c264039f360b76542e66faaa39869a80233d8ee0 authored about 16 years ago by Marc Sturm <[email protected]>

disabled debug mode

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3646 6adb6e08-d915-0410-9...

2526ca2de022c40b50c70308ca75b3deb6b96c58 authored about 16 years ago by Andreas Bertsch <[email protected]>

SpectrumCanvas: Changed buffer_ type to QImage (this fixes the problems with converting images form QImage to QPixMap under Windows)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3644 6adb6e08-d915-0410-9...

b565730d78edf32f5320120d5d395bbdc08e896e authored about 16 years ago by Marc Sturm <[email protected]>

cleaned up main Makefile (removed $OPENMS_LIBS)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3643 6adb6e08-d915-0410-9...

0ac5c7d99f34332197c90ae09d63de023596d61a authored about 16 years ago by Chris Bielow <[email protected]>

updated Windows installation instructions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3642 6adb6e08-d915-0410-9...

60efcad4041ee31fa0d1a378ed748d704837e20c authored about 16 years ago by Marc Sturm <[email protected]>

little improvement

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3641 6adb6e08-d915-0410-9...

8df53125a4e4f22cb6d331449c07f0031b858578 authored about 16 years ago by Clemens Gröpl <[email protected]>

initial - now I will try this out for myself for a few days

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3640 6adb6e08-d915-0410-9...

6593e9b978dbafdd4f87806fae4c2dc17bee910b authored about 16 years ago by Clemens Gröpl <[email protected]>

Fixed fitting problem that occurs when min_spectrum is nearly as high as max_missing_trace_peaks_

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3639 6adb6e08-d915-0410-9...

09f6706c43a412a887d08ccca8d5f00beda30bd8 authored about 16 years ago by Marc Sturm <[email protected]>

now removing all files created by ClusterHierarchical_test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3638 6adb6e08-d915-0410-9...

206021afae79fa651b010518d556fae484d65ccd authored about 16 years ago by Mathias Walzer <[email protected]>

added charge of ConsensusFeature and FeatureHandle to consensusXML

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3636 6adb6e08-d915-0410-9...

1b5d89cffadf575da8b0f7151902061772d8e64c authored about 16 years ago by Marc Sturm <[email protected]>

Added choise of mass type to FFPP (based on a patch provided by Eva)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3635 6adb6e08-d915-0410-9...

94762f4693f412086c00a8f7868dc7b1198f36d6 authored about 16 years ago by Marc Sturm <[email protected]>

merged changes from Release 1.2 branch into trunk (revision 2475-3629)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3631 6adb6e08-d915-0410-9...

3fff152448e332f09f575cdf31d0b4e924948576 authored about 16 years ago by Andreas Bertsch <[email protected]>

Fixed TOPP FileInfo test for ANDI/MS

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3486 6adb6e08-d915-0410-9...

f5879410a326dca5d23b47ec821b754ee10114ee authored over 16 years ago by Marc Sturm <[email protected]>

Added raw data spacing to FileInfo

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3484 6adb6e08-d915-0410-9...

320eed073bba6197494df5e3147abd3e8d051dc8 authored over 16 years ago by Marc Sturm <[email protected]>

Merged release branch revisions 3451 upto 3474 into HEAD

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3475 6adb6e08-d915-0410-9...

c78629ea620fb2a36785c0fe0b148054e661d8c4 authored over 16 years ago by Marc Sturm <[email protected]>

Merged -r3432:3451 from Release1.2 into HEAD to make it compilable

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3458 6adb6e08-d915-0410-9...

0a3290d34f18818cbe9d03946746549548becaa5 authored over 16 years ago by Marc Sturm <[email protected]>

disabled RTPredict due to infinity loop (in SVMWrapper. loadModel)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3456 6adb6e08-d915-0410-9...

7c2424d2f4188d55d630bf9a0f89f7d4e865bd93 authored over 16 years ago by Chris Bielow <[email protected]>

changed order of parameter loading for separation prediction

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3433 6adb6e08-d915-0410-9...

a098e15029d02e2c500d1138a2cec3d6bdd1eab0 authored over 16 years ago by NicoPfeifer <[email protected]>

Fixed wrong includes and missing namespaces

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3430 6adb6e08-d915-0410-9...

a0c0ddbeb317c9afae60238ed107d0636770536c authored over 16 years ago by Marc Sturm <[email protected]>

Textfile input for RTModel supported

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3429 6adb6e08-d915-0410-9...

d795e5cc3d7be0fa8794e1de9c4787750b3b7f3e authored over 16 years ago by NicoPfeifer <[email protected]>

BinnedRep wieder dazu

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3428 6adb6e08-d915-0410-9...

935abdd1c2741d7069e6da4f6b1531194c64c2c4 authored over 16 years ago by Mathias Walzer <[email protected]>

removed old binned rep

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3427 6adb6e08-d915-0410-9...

dd577f29402ae58f9b32f6f2156884595ec19769 authored over 16 years ago by Mathias Walzer <[email protected]>

added generic clustering

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3426 6adb6e08-d915-0410-9...

6a2ecee47f0d12024e899ff953dc0538501cc14a authored over 16 years ago by Mathias Walzer <[email protected]>

RTPredict improved

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3425 6adb6e08-d915-0410-9...

15cc8a1cfd5730241a418a37dedadbd97231677b authored over 16 years ago by NicoPfeifer <[email protected]>

FORMAT: improved handling of (illegal) whitespaces inside base64 encoded data

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3424 6adb6e08-d915-0410-9...

ee715e8eedce3bf92034a5914c4be9a21eadf1bc authored over 16 years ago by Marc Sturm <[email protected]>

TOPPView: double click on layer opens preferences

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3423 6adb6e08-d915-0410-9...

8106b77d1a01778b5a1454836ae120b4793c9449 authored over 16 years ago by Marc Sturm <[email protected]>

INIFileEditor: added command line option to print a file; add --help argument; changed help output

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3422 6adb6e08-d915-0410-9...

8aeebe0b0f20b0e4b440a8e6cac74c2ca684be0d authored over 16 years ago by Marc Sturm <[email protected]>

TOPPView: changed context menus; PPFF: fixed gnuplot script locations; FFEval: added output of pairs with wrong ratios

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3421 6adb6e08-d915-0410-9...

2cc79f918c9d78aa5cac5a2d3d135b4a78a59bdd authored over 16 years ago by Marc Sturm <[email protected]>

fixed FileInfo test i broke

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3420 6adb6e08-d915-0410-9...

9cfad1aa3c7a1d2f8d2b021ec4b26cf9b399a12b authored over 16 years ago by Marc Sturm <[email protected]>

Added (empty) test for MzML; docu changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3419 6adb6e08-d915-0410-9...

e7fb3283b6d2c0d8fd7f8d7d1dc1a2956cc8dcea authored over 16 years ago by Marc Sturm <[email protected]>

FileConverter: added support for consensusXML; TOPP: docu changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3418 6adb6e08-d915-0410-9...

cb573d27301b95802ab359b557501cba2407b49a authored over 16 years ago by Marc Sturm <[email protected]>

ConsensusXMLFile: added PeakFileOptions; FileFilter: added support for ConsensusXMLFile

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3417 6adb6e08-d915-0410-9...

fccfeaab3bd24c60ccea33407453719082ff6320 authored over 16 years ago by Marc Sturm <[email protected]>

TOPPView: fixed noise estimation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3416 6adb6e08-d915-0410-9...

4100f20cb21d6477ee46412dbd3bb15fa2eb3b1c authored over 16 years ago by Marc Sturm <[email protected]>

ConsensusXML: added quality to schema and handler, cleaned up schema, made element id a xs:id; FFPP: removed overall_score from debug output; FileInfo: added support for consensusXML; MultiGradientSelector: added several one-color gradients

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3415 6adb6e08-d915-0410-9...

4281c193354016ba37f6892ad0ba82ab694b65a7 authored over 16 years ago by Marc Sturm <[email protected]>

gls bug fix

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3414 6adb6e08-d915-0410-9...

d9fbb323469d7635df3f0a909e55e923eb533ef7 authored over 16 years ago by Vipul Patel <[email protected]>

PPFF: changed type of 'debug' parameter to string

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3413 6adb6e08-d915-0410-9...

b89e4dfe777c39e91b0a1e6031351657743e298d authored over 16 years ago by Marc Sturm <[email protected]>

PPFF: removed magic constants, resolved charge clashes, fixed plot numbers; Spectrum2DView: added meta info of features to status bar; FFEval added output file for unmatched features

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3412 6adb6e08-d915-0410-9...

55c0d7f92a7c744af1cbe2928f87e12a66a779e3 authored over 16 years ago by Marc Sturm <[email protected]>

added the mzML schema, an example file and pre-pre-alpha mzML support

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3408 6adb6e08-d915-0410-9...

1eca762103095601169b235dcd12ef21485ff19b authored over 16 years ago by Johannes Veit <[email protected]>

Added statistics for meta information

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3406 6adb6e08-d915-0410-9...

2f56ad73639748ec76aeecb60ccdf1b7941b7b09 authored over 16 years ago by Marc Sturm <[email protected]>

fixed some bugs, related to gcc 4.3.1

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3405 6adb6e08-d915-0410-9...

166e10103c68126b0f81b75fab13fd59f2431613 authored over 16 years ago by Andreas Bertsch <[email protected]>

DBAdapter is now tested with rich peak and raw data because of differing meta data handling

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3404 6adb6e08-d915-0410-9...

92809d2c58f5a5aa53f53789aeded01bec1a39f6 authored over 16 years ago by Johannes Veit <[email protected]>

Configure: New test for linking against CGAL that works both with version 3.2 and 3.3.1

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3402 6adb6e08-d915-0410-9...

64d2da2357635f11a3e6e7bff7bdec594c7a1975 authored over 16 years ago by Marc Sturm <[email protected]>

Fixed bugs in FeatureFinderAlgorithmPicked and PoseClusteringShiftSuperimposer (crashes in the tests); Made OpenMS compatibe to Xerces-C 2.80

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3401 6adb6e08-d915-0410-9...

fd4da7ff1ed5f8e3b71bd103341f1c67b4671d5b authored over 16 years ago by Marc Sturm <[email protected]>

Fixed most remaining gcc 4.3 warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3400 6adb6e08-d915-0410-9...

285141dfdb21579774870731388f6cca7dfc741a authored over 16 years ago by Marc Sturm <[email protected]>

first load of changes for gcc 4.3.1

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3399 6adb6e08-d915-0410-9...

598428ca390931a7ef2456f52b4688e17ef729c9 authored over 16 years ago by Marc Sturm <[email protected]>

updated installation instructions for new contrib

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3395 6adb6e08-d915-0410-9...

1ad45f2e1735fc292ecb32ee074cc88fac5c21c6 authored over 16 years ago by Marc Sturm <[email protected]>

adapted to Seqan 1.1

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3393 6adb6e08-d915-0410-9...

10f68a5a374ead5434e591f3df90a8c97aed4ad1 authored over 16 years ago by Clemens Gröpl <[email protected]>

PPFF: Fixed bugs in isotope pattern fit with charges higher than 7

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3389 6adb6e08-d915-0410-9...

627b91edf9f4e49f828af17fa43bf56d31ad6f17 authored over 16 years ago by Marc Sturm <[email protected]>

PPFF: fixed crashes caused by empty spectra; fixed bug in intensity score calculation; LayerStatisticsDialog: fixed random initialization when the first meta data array of a certain name is empty

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3387 6adb6e08-d915-0410-9...

8eb6debb4577d3944858eba14820a47f9ac05edf authored over 16 years ago by Marc Sturm <[email protected]>

Fixed test; fixed warning

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3385 6adb6e08-d915-0410-9...

e41f6c86034da754e82f73d33b9c9746f674d69b authored over 16 years ago by Marc Sturm <[email protected]>

split up depend target so that we can generate .Dependencies faster with -j4

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3383 6adb6e08-d915-0410-9...

d0cc6f91cdead3f2ebb1cf971e3fe7ac83294dcd authored over 16 years ago by Clemens Gröpl <[email protected]>

search in lib64 directories before lib directories

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3382 6adb6e08-d915-0410-9...

91169e5f435f14d4dff702f0002caa040fefe2fc authored over 16 years ago by Clemens Gröpl <[email protected]>

Fixed test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3381 6adb6e08-d915-0410-9...

41e3f984aade954773838bb1c05b92ef70aae0b1 authored over 16 years ago by Marc Sturm <[email protected]>

FFPP: fixed initialization of meta data arrays, debug dir is now created if not present; Macros: added missing space in output between condition and message

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3380 6adb6e08-d915-0410-9...

f98653195f17ab1498090ac3f44a888b0f75b202 authored over 16 years ago by Marc Sturm <[email protected]>

FeatureFinderAlgorithmPicked: replaced info_ by meta data arrays; added class test; added TOPP test; docu changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3379 6adb6e08-d915-0410-9...

a65c73fe04b18b9b53196a94f8bb8435c1c72b14 authored over 16 years ago by Marc Sturm <[email protected]>

Documentation changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3378 6adb6e08-d915-0410-9...

82327855fec854930caaf7fe41c87bcf6dca425c authored over 16 years ago by Marc Sturm <[email protected]>

TOPPView: fixed crash when first file of several layers in command line does not exist; Fixed crash when an invalid INI file is used

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3377 6adb6e08-d915-0410-9...

13322420dc2bcf599eedb41180c31af736368b57 authored over 16 years ago by Marc Sturm <[email protected]>

fixed Bug #1985366

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@3376 6adb6e08-d915-0410-9...

b97815a31f368b596061872777ee24d01fb5cdcc authored over 16 years ago by Chris Bielow <[email protected]>