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An open API service for software projects hosted on Open Collective.

github.com/OpenMS/OpenMS

The codebase of the OpenMS project
https://github.com/OpenMS/OpenMS

[FEATURE] Export isotope errors when reading pepXML

42b68b1ff6ec672e81df2633680b63035e86eb8f authored about 3 years ago by jpfeuffer <[email protected]>
Merge pull request #5564 from OpenMS/jpfeuffer-patch-4

[FIX] Forgot C-term fixed mod lookup in pepXML

90e3bfb4d200a744681a61ce0c9d4bd7f9ab5e8e authored about 3 years ago by Timo Sachsenberg <[email protected]>
Update PepXMLFile.cpp

de8066ff46ec48e3a0258b34419e03593a376123 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Forgot C-term

2777737cdc009c42a49550bf3b6f280273aac48e authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge pull request #5548 from OpenMS/fix/fixedTermModsPepXML

[FIX] Consider fixed mods for terms, reading pepXML

88879fad77cd08d76f354b5d78591752bcd84d45 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Do not overwrite OPENMS_DATA_PATH in PyOpenMS if it is already set (#5562)

* Do not overwrite OPENMS_DATA_PATH in PyOpenMS if it is already set

Co-authored-by: Timo Sac...

9163f079dd7b5d3022767167c31ba0fc8072e269 authored about 3 years ago by Radu Suciu <[email protected]>
update minimum cmake version

380bfb4c0f6811097530f493f68a4bd2c410f01b authored about 3 years ago by Timo Sachsenberg <[email protected]>
Merge branch 'release/2.7.0' into develop

765d5a5ae6587bc5d7e3b81f7b30e8b7dcaded89 authored about 3 years ago by Timo Sachsenberg <[email protected]>
increase minimum required cmake version

314e2e181cd38850831e351aaeaa3de5d73e7662 authored about 3 years ago by Timo Sachsenberg <[email protected]>
adding-wrap-doc-method-22 (#5560)

5cff225e10bafcb9673635a7eddfd470e5bd8b0b authored about 3 years ago by Rahul Agrawal <[email protected]>
Update CMakeLists.txt

68db1f51f327372799c81f2a14df9da14f9e4ba7 authored about 3 years ago by Timo Sachsenberg <[email protected]>
Merge pull request #5557 from timosachsenberg/feature/pLFQ_overwrite_design_filenames_with_input_filenames

overwrite design file names with input file names (as we know those e…

31fe8b85147fba5a2cd87f9de6fea60246006521 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
fix aaseq python ext. (#5555)

2b91d7cb86dce461a425c1fb29a5260dba513f49 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Update ProteomicsLFQ.cpp

acf4be80c5d33a84f54bef2e5de9789de97f67d7 authored about 3 years ago by Timo Sachsenberg <[email protected]>
overwrite design file names with input file names (as we know those exist on the filesystem)

d1404ceb729d966978b0ef481d3cef936609f925 authored about 3 years ago by timosachsenberg <[email protected]>
small additions

68eeaf6c6a3b52e6b89fc04fe40c36d8e404a0b3 authored about 3 years ago by jpfeuffer <[email protected]>
Merge pull request #5477 from oliveralka/fix/pyopenms_build_big_sur

[FIX] PyOpenMS macOS 11.5.1 (10.16)

c56977b3745f7a72cc19002a8c1406ea162a8278 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
fix myrimatch tests

3cc603ba3880421be9d5fa9ed68c39cbae9cfffc authored about 3 years ago by jpfeuffer <[email protected]>
Merge pull request #5549 from oliveralka/fix/writeLocationMztabAMS

[FIX] AMS mztab

6af189aa246e85c0a64a6ea2fb867fd505b5c670 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Try to improve logic for creating spectrum_references

36fae510386e31481db1daedfab7c103e98af6e4 authored about 3 years ago by jpfeuffer <[email protected]>
[cython] link to openmp (#5498)

* [cython] link to openmp

Co-authored-by: oliveralka <[email protected]>
Co-authored-by: ...

4382189240845e12b309eacce6c3fb7554b8736c authored about 3 years ago by Julianus Pfeuffer <[email protected]>
[FIX] style

acc78fb830592e96bda56ddd21b753efacd4f444 authored about 3 years ago by oliveralka <[email protected]>
[ADD] MassErrorPPMScore

f5c6b72ea70fc2e9aeeda8e8066d8f08991bf120 authored about 3 years ago by oliveralka <[email protected]>
[FEATURE] Correctly set MSFragger as name.

b373f49ab3a5bb5155df78b38584dc53b47c5355 authored about 3 years ago by jpfeuffer <[email protected]>
[FIX] suggested changes

13296c7d2fddfccc05a9187ac7209635a1fb3d36 authored about 3 years ago by oliveralka <[email protected]>
Merge pull request #5494 from dvdvgt/fix/tests_memory_leaks

[Fix] Remaining memory leaks in tests

0eaa33917ec20fcfc6e29580ea088d600d309844 authored about 3 years ago by Timo Sachsenberg <[email protected]>
[FIX] mztab file

de45e9117a97fa6a4dfcb7e01b8889871aaec0df authored about 3 years ago by oliveralka <[email protected]>
Typo

59fa8b4838ce2edee2959810ca887511898f14df authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Isobaric reporter ion option added

8a45b7b63f87b8c167cd3de32a267a3617179801 authored about 3 years ago by kyowonjeong <[email protected]>
[FIX] Consider fixed mods for terms, reading pepXML

50b6785fb69370873fccca405738f9579a8ad818 authored about 3 years ago by jpfeuffer <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop

ea989f20d122ba9d0df0231731d814aef65172e2 authored about 3 years ago by oliveralka <[email protected]>
Merge pull request #5544 from OpenMS/jpfeuffer-patch-4

[Feature] Try to add descriptions to Param class repr in pyopenms

d69467f0e22054957aad0425885ee05758ca6104 authored about 3 years ago by Timo Sachsenberg <[email protected]>
Missing parentheses

6fdd421fb6b8d544095cc29d10f51ff1780c4c4a authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge pull request #5542 from OpenMS/fix/merge_release270

Merge Release 2.7.0

7a2e4a41d4c9f511306afcb8bb4f1b773ace9b9a authored about 3 years ago by Timo Sachsenberg <[email protected]>
[Feature] Try to add descriptions to Param class repr in pyopenms

7ae3e017194cb9d26a3dee35dc721bdb78df8c88 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
merge release/270

48e09c7806d91eb5fb067c4c1f7f2ff8d96fd592 authored about 3 years ago by Oliver Alka <[email protected]>
Releasing version 2.7.0

da738a3e3ff4ce807f6bf70f5a4f38800a6a3a7d authored about 3 years ago by openms-jenkins-bot <[email protected]>
PLFQ Write chromatograms for debugging (#5536)

* PLFQ Write chromatograms for debugging

* fix var name

81febc20754f87d2ae79ded9c9a8d2967f938a40 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
adding-wrap-doc-method-20 (#5537)

e3b6cfccee047a8394e7cbb2afaa011615a5b8d2 authored about 3 years ago by Rahul Agrawal <[email protected]>
Merge pull request #5533 from poshul/legacy_release

Legacy release

9110e58e6552fd188ddff2335d14cb7790d2a440 authored about 3 years ago by Samuel Wein <[email protected]>
update QCCalculator test for qcML export

c56f5c9d42c374237adbe4550dab58de3ef571c5 authored about 3 years ago by axelwalter <[email protected]>
add legacy cv to QcMLFile, QCExporter and QCImporter

3785dd50ebc65eaea5a8020b456a6684bacd3064 authored about 3 years ago by axelwalter <[email protected]>
[fix] add qc-cv legacy CVs

095960fa44c7337db26b830d408ceeebb1355e95 authored about 3 years ago by Samuel Wein <[email protected]>
Merge pull request #5529 from poshul/feature_add_legacy_qcms

[fix] add qc-cv legacy CVs

04733cf52ca54f467156590ae52300d38bc3b856 authored about 3 years ago by Samuel Wein <[email protected]>
adding-wrap-doc-method-19 (#5532)

* adding-wrap-doc-method-19

1bbf4e85496f9dee8e224c853b908a0b9320e518 authored about 3 years ago by Rahul Agrawal <[email protected]>
Use RAIICleanup instead of shared_ptr

26f34febd545535c93280574a1cccca67b124d8a authored about 3 years ago by dvdvgt <[email protected]>
Merge branch 'develop' into feature/FLASHDeconv

8e530784fd972e29f32c69a85fb5e8fb270a7556 authored about 3 years ago by JeeH-K <[email protected]>
update QCCalculator test for qcML export

fef38a0c19580c3a7597b227aa80f7879d926e94 authored about 3 years ago by axelwalter <[email protected]>
Added_wrap-doc _methods_6 (#5439)

* Added wrap-doc methods 6

cd622219b71f6ad12153abfe16298256edc42227 authored about 3 years ago by Rahul Agrawal <[email protected]>
add legacy cv to QcMLFile, QCExporter and QCImporter

4af4d05933d3b0184b657865dc43fd9c678262ca authored about 3 years ago by axelwalter <[email protected]>
Merge branch 'develop' of https://github.com/oliveralka/OpenMS into develop

98397938c653142b426762ab6fa4206ecd861811 authored about 3 years ago by oliveralka <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop

3f6801cad4d64b61c7688925b16327ec61faa5ff authored about 3 years ago by oliveralka <[email protected]>
[fix] add qc-cv legacy CVs

745631f97a83bcf32bce344058ed907340fb0058 authored about 3 years ago by Samuel Wein <[email protected]>
Removal

56d254843b5b095430e98ae17644b873d15a3652 authored about 3 years ago by Arraxx <[email protected]>
Po,Ra,Fr

dc800a0fbffad9be636b6615d00089e97dea7f42 authored about 3 years ago by Arraxx <[email protected]>
Adding more Elements

32e046f80daadbb05927f1f882f721cf71ce8686 authored about 3 years ago by Arraxx <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop

e67a6f038900cf4ecbe827474ccb48ffe6b03a0b authored about 3 years ago by oliveralka <[email protected]>
Merge pull request #5527 from OpenMS/fix/epifany_error_dbg_lvl

fix bug in Epifany introduced by new ParamValue class

f5a7a3018e0d14a40edb5dc1fa3a0175aca24f82 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
fix bug in Epifany introduced by new ParamValue class

409b4f63224dbc656e5e89ae2c0ff61456288794 authored about 3 years ago by Timo Sachsenberg <[email protected]>
adding-wrap-doc-method-18 (#5524)

* adding-wrap-doc-method-18

bc60b556c8cba4d2578b291c497042beaa0827fe authored about 3 years ago by Rahul Agrawal <[email protected]>
fix bug if experimental design is given (#5522)

now treated as unfractionated

0593c32d7cc324f98482012812cf8920cf833c7e authored about 3 years ago by Timo Sachsenberg <[email protected]>
adding-wrap-doc-method-17 (#5520)

* adding-wrap-doc-method-17

8bddddd26166fff24fb289a6de44dc25617984ad authored about 3 years ago by Rahul Agrawal <[email protected]>
Code Arrangement changes-15 (#5519)

* Code Arrangement changes-15

* Update src/topp/OpenSwathChromatogramExtractor.cpp

Co-auth...

2d6c4351e18f0355f04fe50f71e3c7d804d20a9f authored about 3 years ago by Aman Kumar <[email protected]>
Feature tracing ppm error

2f58ac1934bb6932bd67e2ceac0fa87956506cea authored about 3 years ago by kyowonjeong <[email protected]>
Feature tracing ppm error

07ea4708630e24f93b000adde72117e7401d5b2f authored about 3 years ago by kyowonjeong <[email protected]>
Feature tracing ppm error

2359244553272c59866065f12395c200b78c60f7 authored about 3 years ago by kyowonjeong <[email protected]>
[wizard] added icons and open-output-directory button

d50f50b66ed1d28692cc27165aa8cefb580b66df authored about 3 years ago by JeeH-K <[email protected]>
remove FLASHIda tests

d0406ee0061fd04dd7e8cdd94b9eece0abb8bd9e authored about 3 years ago by JeeH-K <[email protected]>
added test functions for FLASHDeconv related classes (FLASHIda - WIP)

fd76e8562455a8b67de81618734d00f57a6f3002 authored about 3 years ago by JeeH-K <[email protected]>
(in progress) adding class test function

fd749dc40f6f5a633dd15f0c7f96b3b7a329034c authored about 3 years ago by JeeH-K <[email protected]>
code arrangement changes -14 (#5510)

* code arrangement changes -14

* Update FeatureFinderCentroided.cpp

* Update FileInfo.cpp
...

f4f4bb5b9bb104c11f590684540c634893655cc3 authored about 3 years ago by Aman Kumar <[email protected]>
FLASHDeconv polishing

0b3d6130f5eb5d78d4570f28f07c4a69f89c3be0 authored about 3 years ago by kyowonjeong <[email protected]>
Update Plot2DCanvas.cpp (#5480)

* Update Plot2DCanvas.cpp

Calculate bin centers (shown in projection) based on intensity weig...

547ff49423fe8f062e97bb194a07636fde43dc05 authored about 3 years ago by Timo Sachsenberg <[email protected]>
Merge pull request #5509 from jpfeuffer/feature/pickedProteinFDR

[Fix] picked protein fdr

236e982ff5a35813644356460bacdf6d87bd7e6d authored about 3 years ago by Julianus Pfeuffer <[email protected]>
[FIX] Sirius default executable names (#5511)

* [FIX] Sirius default executable names

45ce343255ecf6beefe208ad3655d9c9326cb54f authored about 3 years ago by Oliver Alka <[email protected]>
actually use higherbetter

2fc8f340c5ad97dfd753090bc6f1763f6cc4c60a authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Code Arrangement Changes-11 (#5493)

* Code Arrangement Changes-11

* changes

* Brackets

* Update src/openms/source/SIMULATIO...

ddf175c5251b1ecaaed041474379489781f1eedd authored about 3 years ago by Aman Kumar <[email protected]>
code arrangement changes #9 (#5486)

* code arrange changes #9

* edited

* Update IMDataConverter.cpp

* Update PepXMLFile.cpp...

69aa1cac0781414e86b97bfd850937e0dea15c9b authored about 3 years ago by Aman Kumar <[email protected]>
Code Arrangement changes-13 (#5505)

* Code Arrangement changes-13

* Update Plot1DWidget.cpp

* Update Plot2DWidget.cpp

* Upd...

b7017f7d4cb35a85ad9fbfc080a1ba3b062a6513 authored about 3 years ago by Aman Kumar <[email protected]>
Code Arrangement changes-12 (#5497)

* Code Arrangement changes-12

* Update FeatureFinderAlgorithmMetaboIdent.cpp

* Update Mult...

cd955823449f8ac9674836951a60ef92c0276fa9 authored about 3 years ago by Aman Kumar <[email protected]>
Merge remote-tracking branch 'origin/feature/pickedProteinFDR' into feature/pickedProteinFDR

856840ac6328999f7ae57b2dcad9a9713ba8b0f0 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
unused and minor fixes

d80bc69a0ddac451f0a09ac630fbe40db94f4571 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
adding-wrap-doc-method-15 (#5495)

* adding-wrap-doc-method-15

af41261fafeb5279109ac9e00e3ecd8adb8e8da6 authored about 3 years ago by Rahul Agrawal <[email protected]>
adding-wrap-doc-method-16 (#5496)

* adding-wrap-doc-method-16

d746540c23c170f6ac6e51f63b06db1caf51f6b8 authored about 3 years ago by Rahul Agrawal <[email protected]>
adding-wrap-doc-method-14 (#5487)

* adding-wrap-doc-method-14

0ca1f9a1d2996acaadc2d276fcf181b78174bc15 authored about 3 years ago by Rahul Agrawal <[email protected]>
adding-wrap-doc-method-13 (#5479)

* adding-wrap-doc-method-13

c63b0b63c44674ee3ddb8e7aa810259fd4c4aa67 authored about 3 years ago by Rahul Agrawal <[email protected]>
added-wrap-doc-method-12 (#5473)

* added-wrap-doc-method-12

c6fd4d9526a3b035b158286fa9e83062e4150fd1 authored about 3 years ago by Rahul Agrawal <[email protected]>
Merge pull request #5488 from jpfeuffer/feature/pickedProteinFDR

[Feature] picked protein fdr

f84cd746a3b17944861bbc7873d62ab4b1292204 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge pull request #5504 from OpenMS/jpfeuffer-patch-6

[FIX] Add origin for simulated IDs

03361647855a7c6636bdc13843f0da5fac27aaea authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge pull request #5503 from OpenMS/jpfeuffer-patch-5

[FIX] Better error message for nr runs in PLFQ IDs

c7826b8ba009a5d44f43e91ab28c3006531494bf authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge pull request #5502 from OpenMS/jpfeuffer-patch-4

[Update] Allow more isotope errors in Comet

31e8788f85372ed43a2510908398fdaca4ff9c9d authored about 3 years ago by Julianus Pfeuffer <[email protected]>
forgot selecting first run

91a03a1a4e1bb723e5478cea40fa29880b189aa4 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
[FIX] Add origin for simulated IDs

f89c386efd684f80babbca49a75ace668792fd63 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Better error message for nr runs in PLFQ IDs

84f1a1a71a453e306193021e2db25ae5440d3a9e authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Allow more isotope errors in Comet

80cbe920a42a99eb4d4b7f36c7f8c996d4c4fe90 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
Merge remote-tracking branch 'upstream/develop' into develop

ac1834ff150c6f8991e746a6c71a1876fd062bd0 authored about 3 years ago by oliveralka <[email protected]>
Cimport cmap

8c9099f35e65cf8d3bde1e21c3b617f2ec742738 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
python style comments

f88f2c275f3e9c95aea1ddea220a4cc239b7df05 authored about 3 years ago by Julianus Pfeuffer <[email protected]>
add python bindings

d75306d375d8506ad10264ffdb1388c319e3005a authored about 3 years ago by Julianus Pfeuffer <[email protected]>
remove outdated comment

e77477d4c11edc5f8b37d67f58e732e5375331fc authored about 3 years ago by Julianus Pfeuffer <[email protected]>