| HEAD | a502c6f | Feature/isotopes (#5890) * [FEATURE] allow modification of ElementDB * [FIX] prevent memory leak * [PYOPENMS] allow access from pyOpenMS * [FEATURE] copy in place * [TEST] add test for addElement * [FEATURE] performance improvement * [FEATURE] performance improvement * [FEATURE] performance improvement * [SPEED] switch for performance * [SPEED] deuterium/tritium * [SPEED] pre-pend * [SPEED] small improvements * [SPEED] switch to unordered map * cleanup * Update src/openms/include/OpenMS/CHEMISTRY/ElementDB.h for EmpiricalFormula_test.cpp Co-authored-by: Timo Sachsenberg <timo.sachsenberg@uni-tuebingen.de> | 16 March 2022, 20:29:00 UTC |
| refs/heads/circleci | 1a01697 | minor | 11 January 2019, 18:08:02 UTC |
| refs/heads/codeship | 15e6845 | fix | 10 January 2019, 15:05:40 UTC |
| refs/heads/develop | a502c6f | Feature/isotopes (#5890) * [FEATURE] allow modification of ElementDB * [FIX] prevent memory leak * [PYOPENMS] allow access from pyOpenMS * [FEATURE] copy in place * [TEST] add test for addElement * [FEATURE] performance improvement * [FEATURE] performance improvement * [FEATURE] performance improvement * [SPEED] switch for performance * [SPEED] deuterium/tritium * [SPEED] pre-pend * [SPEED] small improvements * [SPEED] switch to unordered map * cleanup * Update src/openms/include/OpenMS/CHEMISTRY/ElementDB.h for EmpiricalFormula_test.cpp Co-authored-by: Timo Sachsenberg <timo.sachsenberg@uni-tuebingen.de> | 16 March 2022, 20:29:00 UTC |
| refs/heads/dirty/fixpile | 8983909 | output in threading environment | 12 February 2014, 13:41:32 UTC |
| refs/heads/dirty/gsl-less | 8f5a914 | adopt setup.py to also search for eigen and Wildmagic | 29 January 2014, 13:14:18 UTC |
| refs/heads/dirty/openswath_ionmobility | 98fcabe | Merge branch 'develop' into dirty/openswath_ionmobility | 27 September 2022, 14:32:01 UTC |
| refs/heads/feature/CachedMzMLFormat | 3c49b74 | [FIX] adapt mzXMLFile::transform | 02 April 2014, 16:35:24 UTC |
| refs/heads/feature/DoubleRealRemoval | bea280d | replace real | 01 April 2014, 12:43:01 UTC |
| refs/heads/feature/ItraqQuantifier_Interface | 88584d6 | [FEATURE] add MSRunIF to IsobaricChannelExtractor | 26 March 2014, 08:26:57 UTC |
| refs/heads/feature/MS1_chrom | 0700318 | [FIX] check return value of window integration | 09 June 2014, 09:31:39 UTC |
| refs/heads/feature/MSRunIF | 1986244 | [FEATURE] add MSRunIF to MSExperiment and OnDiscMSExperiment | 26 March 2014, 08:26:27 UTC |
| refs/heads/feature/MTD_cleanup | d3e80c0 | [MOVE] move FeatureHypothesis code | 24 February 2015, 15:59:51 UTC |
| refs/heads/feature/OSWorkflow_mzXML | 2748e00 | Enable mzXML support | 14 December 2013, 13:19:22 UTC |
| refs/heads/feature/OpenSwathWorkflow | 29995b3 | [FIX] error handling, additional tests | 26 February 2014, 12:08:24 UTC |
| refs/heads/feature/OpenSwathWorkflow_brutus | 29995b3 | [FIX] error handling, additional tests | 26 February 2014, 12:08:24 UTC |
| refs/heads/feature/PeakPickerIterative2 | a91aa49 | dirty | 06 October 2014, 21:44:58 UTC |
| refs/heads/feature/PeakPickerSNPerformance_CubicSplines | 2611429 | use derivative calculation in spline | 03 April 2014, 08:16:02 UTC |
| refs/heads/feature/SpecLibUpdate | fd9e560 | Merge remote-tracking branch 'prod/develop' into feature/SpecLibUpdate | 11 February 2018, 19:12:16 UTC |
| refs/heads/feature/TDDescription | 628e61c | expose method | 10 October 2018, 21:30:42 UTC |
| refs/heads/feature/XIC_scores | d591e5f | [FEATURE] std::move | 20 June 2019, 23:53:44 UTC |
| refs/heads/feature/aa_nterm | 2c2be79 | [FIX] bugfix | 05 February 2019, 21:09:58 UTC |
| refs/heads/feature/aaseq_speed | 90bc431 | [FIX] bugfix | 06 January 2020, 01:06:23 UTC |
| refs/heads/feature/add_lowess | b542fbb | [FEATURE] allow different models for RT normalization also allow non linear models to be used for the RT normalization employed in OpenSWATH. This may be useful if many anchor points are used, such as in the CiRT approach by Parker et al (2015). Using non-linear iRTs may be more accurate, especially when chromatographic conditions are not fully linear. However, enough anchor points need to be available for this to work. | 02 December 2015, 22:28:17 UTC |
| refs/heads/feature/build-fix | 3a55d92 | [FIX] use VersionInfo instead of Macro | 04 September 2019, 13:12:53 UTC |
| refs/heads/feature/chrom_by_id | 4e34140 | Update test_MSNumpressCoder.py | 19 February 2020, 19:37:47 UTC |
| refs/heads/feature/chrom_dataprocessing | 822c7bf | Update OpenSwathWorkflow.cpp just a small test to trigger codacy | 05 July 2017, 15:05:26 UTC |
| refs/heads/feature/chrom_view | 1a651e1 | [GUI] show chromatogram native id | 08 February 2018, 03:05:13 UTC |
| refs/heads/feature/concurrency | 1618f4f | [PYOPENMS] fix pyopenms | 07 May 2018, 13:44:31 UTC |
| refs/heads/feature/cppcheck | 15d735f | Update Findcppcheck.cmake | 12 February 2019, 15:49:16 UTC |
| refs/heads/feature/deisotoper | f86e677 | Merge branch 'develop' into feature/deisotoper | 29 May 2019, 13:14:19 UTC |
| refs/heads/feature/dirty_mv | 855221d | mv | 29 December 2018, 14:41:12 UTC |
| refs/heads/feature/doc_fixes | 74718ae | Update ModificationsDB.h | 06 March 2020, 08:18:30 UTC |
| refs/heads/feature/drift_time | 7836617 | [FIX] fix indent and test | 12 December 2018, 19:07:58 UTC |
| refs/heads/feature/drift_time_os_spec | 14d0652 | Merge branch 'develop' into feature/drift_time_os_spec | 23 November 2022, 10:53:45 UTC |
| refs/heads/feature/drift_time_os_spec_2 | b754c3b | [FEATURE] fast access to data in DataArrays | 30 September 2022, 14:48:10 UTC |
| refs/heads/feature/feature_finder_ion_mobility | df9d986 | [TEST] add degenerate example | 26 November 2021, 19:47:16 UTC |
| refs/heads/feature/filesplitter | 760c4e8 | [FEATURE] adopt OpenSwath scoring | 01 July 2016, 02:14:45 UTC |
| refs/heads/feature/fixes | c2be19f | cpplint | 10 June 2018, 20:33:37 UTC |
| refs/heads/feature/fixtest | ea68f10 | [TEST] sort proteins | 02 March 2019, 19:37:27 UTC |
| refs/heads/feature/float_arr | 80aaa02 | update test mzMLs | 05 January 2022, 10:55:52 UTC |
| refs/heads/feature/float_name | 3b40055 | Update MzMLHandlerHelper.cpp | 19 February 2020, 22:35:44 UTC |
| refs/heads/feature/formatLib | c3eb94b | fix | 25 October 2021, 19:11:19 UTC |
| refs/heads/feature/formatLib2 | eb44de8 | move to BASE | 25 November 2021, 20:40:06 UTC |
| refs/heads/feature/header_fixes | 422822e | Update PeptideIdentification.cpp | 13 August 2018, 18:38:07 UTC |
| refs/heads/feature/headers | 96cb965 | [FEATURE] header fixes | 12 July 2018, 21:55:16 UTC |
| refs/heads/feature/im_ff | ecfca0a | [FEATURE] ion mobility support in FFCentroid - prepare for ion mobility support in FeatureFinderCentroided - change data structure in mass trace to point to spectrum, allowing access to RT and ion mobility | 18 February 2022, 18:43:01 UTC |
| refs/heads/feature/im_osw | 7c71b2d | [PYOPENMS] add pyopenms | 11 September 2019, 19:00:53 UTC |
| refs/heads/feature/im_scores | a13110b | [FIX] add required function | 11 April 2018, 20:07:27 UTC |
| refs/heads/feature/includes | b02309d | [FIX] include fixes | 09 November 2023, 20:25:16 UTC |
| refs/heads/feature/indexed_mzml | a4bf86a | [MOVE] code move | 20 April 2018, 21:17:26 UTC |
| refs/heads/feature/ion_mobility | 792b4aa | [TEST] test chromatogram extraction | 16 March 2018, 22:22:09 UTC |
| refs/heads/feature/ionmobility_paper | e0b987a | [TEST] test files | 10 January 2020, 22:01:27 UTC |
| refs/heads/feature/isotope_class | 7a8d116 | Merge branch 'develop' into feature/isotope_class2 | 09 November 2023, 22:04:48 UTC |
| refs/heads/feature/matrix_py | c011bc8 | Merge branch 'develop' into feature/matrix_py | 08 January 2020, 18:45:50 UTC |
| refs/heads/feature/measureMemoryConsumption | f103eed | minor fixes | 07 July 2016, 04:17:47 UTC |
| refs/heads/feature/metav | ca43312 | works? | 14 March 2019, 15:59:38 UTC |
| refs/heads/feature/metaval | d9d6144 | do not store feature scores | 05 July 2019, 20:57:29 UTC |
| refs/heads/feature/moveOpenSwath | db80c8b | [TEST] adopt pyOpenMS | 26 February 2015, 14:46:52 UTC |
| refs/heads/feature/move_metavalue | aae9647 | [TEST] fix tests | 19 September 2018, 00:41:45 UTC |
| refs/heads/feature/move_sh | fd5c988 | [MOVE] fix headers | 03 April 2018, 16:33:30 UTC |
| refs/heads/feature/mrm2 | 34cb758 | [FEATURE] scoring model selection | 21 March 2018, 01:15:55 UTC |
| refs/heads/feature/mrm_emgscoring | 34cb758 | [FEATURE] scoring model selection | 21 March 2018, 01:15:55 UTC |
| refs/heads/feature/ms1_aggregation | 2b263aa | [NOP] simplify code - replace ptr with object | 22 November 2016, 00:40:42 UTC |
| refs/heads/feature/ms1_filter | bdbdc74 | [FIX] speed issues during calibration | 08 July 2019, 14:23:55 UTC |
| refs/heads/feature/ms2_scanselect | d660ddc | [FIX] code check | 18 July 2017, 19:53:09 UTC |
| refs/heads/feature/numpress-doc | 828308e | [DOC] numpress doc | 18 March 2018, 13:09:27 UTC |
| refs/heads/feature/openms_concurrency | 024765d | [FEATURE] implement per-template locking This allows calls to create() for other template specializations without creating a deadlock. | 08 May 2018, 16:39:55 UTC |
| refs/heads/feature/openswath_documentation | 4dc8a2c | Merge branch 'develop' into feature/openswath_documentation | 02 April 2018, 20:46:17 UTC |
| refs/heads/feature/openswath_im | 6ceec52 | [TEST] fix test for _17 tests | 10 January 2020, 21:38:12 UTC |
| refs/heads/feature/openswath_im_extraction | 8958149 | [FEATURE] fix for mass correction by ion mobility | 08 April 2018, 04:56:30 UTC |
| refs/heads/feature/openswath_improvements | 64b2f28 | [FEATURE] slightly faster | 16 March 2022, 20:20:12 UTC |
| refs/heads/feature/openswath_nonlinear | 89abb37 | [FEATURE] allow different models for RT normalization also allow non linear models to be used for the RT normalization employed in OpenSWATH. This may be useful if many anchor points are used, such as in the CiRT approach by Parker et al (2015). Using non-linear iRTs may be more accurate, especially when chromatographic conditions are not fully linear. However, enough anchor points need to be available for this to work. | 02 December 2015, 22:28:17 UTC |
| refs/heads/feature/openswath_nonlinear2 | 6433d6a | [FEATURE] allow different models for RT normalization also allow non linear models to be used for the RT normalization employed in OpenSWATH. This may be useful if many anchor points are used, such as in the CiRT approach by Parker et al (2015). Using non-linear iRTs may be more accurate, especially when chromatographic conditions are not fully linear. However, enough anchor points need to be available for this to work. - cherry-picked from 89abb37b637850a57d743d07833e1ab540a646c8 | 02 December 2015, 22:28:17 UTC |
| refs/heads/feature/osw_bugs | 75abfb4 | [FIX] return if spectrum cannot be found | 11 September 2019, 13:57:09 UTC |
| refs/heads/feature/osw_cleanup | cebe5e5 | [FIX] remove explicit cast | 04 October 2019, 01:34:32 UTC |
| refs/heads/feature/osw_cli | 805ebe5 | [CLI] remove -ppm option, replace with mz_extraction_window_unit | 23 August 2018, 17:48:18 UTC |
| refs/heads/feature/osw_doc | 6636b6c | [FIX] rename getRT / getIntensity fxn | 26 February 2018, 21:58:32 UTC |
| refs/heads/feature/osw_docu | a9532f3 | [DOC] add documentation | 22 August 2018, 15:05:04 UTC |
| refs/heads/feature/osw_im_store | 45239d0 | [FEATURE] store IM value - store ion mobility extraction value in extracted chromatograms - fix tests | 07 April 2018, 17:33:15 UTC |
| refs/heads/feature/osw_ionmobility | 3c7fa63 | [FIX] adopt OpenSwathSlim | 10 January 2019, 19:15:17 UTC |
| refs/heads/feature/osw_mod | 28982ff | [TEST] change test files | 02 September 2019, 21:27:06 UTC |
| refs/heads/feature/osw_ms1 | 6c23b12 | [BUILD] add nested parallelism to cmake interface | 04 July 2019, 02:38:23 UTC |
| refs/heads/feature/osw_params | 0cfe06e | Merge remote-tracking branch 'upstream/develop' into feature/osw_params | 27 August 2020, 10:33:55 UTC |
| refs/heads/feature/osw_params2 | 6fca8e3 | [FIX] score fix | 19 June 2019, 02:53:13 UTC |
| refs/heads/feature/osw_speed_measure | 14253b0 | measure OSW speed | 16 March 2022, 20:21:25 UTC |
| refs/heads/feature/peptide_group_label | 58c6f6a | fix - ensure unique id | 21 August 2014, 18:45:32 UTC |
| refs/heads/feature/peptide_hit_rank | bd1c020 | Merge remote-tracking branch 'upstream/develop' into feature/peptide_hit_rank | 25 August 2020, 06:38:44 UTC |
| refs/heads/feature/perf_fix | 27d8d66 | [FIX] move to cpp file (suggested by @jpfeuffer) | 13 January 2020, 14:24:58 UTC |
| refs/heads/feature/pp_im | 46eca04 | [DOC] document current behavior | 25 November 2021, 22:38:54 UTC |
| refs/heads/feature/precursorScoring | 7eea2be | [NOP] remove dead code | 22 August 2014, 12:56:39 UTC |
| refs/heads/feature/precursorScoring2 | 0862eca | [DOC] add documentation about deprecated methods | 17 August 2014, 19:39:19 UTC |
| refs/heads/feature/py37 | 31e8606 | [FIX] compile Python 3.7 extensions on Windows | 26 June 2019, 13:56:16 UTC |
| refs/heads/feature/pyOpenMS_ISpectrumAccess | dae42e6 | [FEATURE] added more classes to pyOpenMS | 04 February 2014, 09:23:52 UTC |
| refs/heads/feature/pydoc | 5c6348a | header file docu ideas | 14 October 2021, 15:38:18 UTC |
| refs/heads/feature/pyopenms | a83b98d | Merge branch 'develop' into feature/pyopenms | 10 June 2018, 14:10:15 UTC |
| refs/heads/feature/pyopenms2 | a286afb | [DOC] better error description | 30 April 2019, 14:21:32 UTC |
| refs/heads/feature/pyopenms_small | 7748929 | [FIX] correct paths | 13 July 2016, 01:37:08 UTC |
| refs/heads/feature/pyopenms_split_travis | 847c0d2 | add numpy includes | 31 July 2017, 23:44:54 UTC |
| refs/heads/feature/qt55 | ef41c04 | dirty wrong Qt | 21 October 2021, 14:31:38 UTC |
