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

reorder badges

a2cea2a37e80246ff57236363aba7ddfa707d3cf authored over 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4510 from OpenMS/jpfeuffer/gitpod-setup

test gitpod

981e95d74e30d8eeefc1e85237e296fa1ee65d6e authored over 4 years ago by jpfeuffer <[email protected]>

Update .gitpod.Dockerfile

a78eb0ac09c03a89077bd2022b850fe511498b87 authored over 4 years ago by jpfeuffer <[email protected]>

test prebuilds

835d3953a71734ca228e791a18d15e5afa92b3ef authored over 4 years ago by jpfeuffer <[email protected]>

cmake call update

62a86b4eb78b3f250342cf6107cae88487b5b681 authored over 4 years ago by jpfeuffer <[email protected]>

Add gitpod config

this commit adds support for Gitpod.io, a free automated
dev environment that makes contributing...

543614d99de3f64b69c00739d41030c0fbf8ac96 authored over 4 years ago by jpfeuffer <[email protected]>

We need hardened runtime for signing now.

36d31c65d82c6c178e5017c11d90f8e2a577a626 authored over 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4509 from enetz/fix/release_IDView

[GUI,FIX] removal of temporary theoretical spectrum layers

f7f693b023aa6bb7bb83dd722271f7ce19ecc89e authored over 4 years ago by Timo Sachsenberg <[email protected]>

[GUI,FIX] removal of temporary theoretical spectrum layers

41f7a63f17d2c378b8d621d518ac61024d08985f authored over 4 years ago by enetz <[email protected]>

handles case that union is zero

* returning 0 (no similarity) if no peptide identification hits exist
* coding convention: '&' ...

be4d665809984eefb3f0a3862ad7eadeb1588fc6 authored over 4 years ago by JuliaThüringer <[email protected]>

fix: codestyle

e8f53585c98ed5521fea30cdb0079462d13f1e38 authored over 4 years ago by Svetlana <[email protected]>

as suggested by Timo Sachsenberg

* public members renamed
* updated documentations
* reworked description of the parameter 'align...

0e42b990df47e9dd4a6a0c109c197518fba9acec authored over 4 years ago by JuliaThüringer <[email protected]>

test: FIA-MS scheduler

b29546050d46a4e806e9e5cd83af0bc2f7e71025 authored over 4 years ago by Svetlana <[email protected]>

feat: run function for scheduler

ef75bc70160c0a395307ee445b9e6513d89eacc7 authored over 4 years ago by Svetlana <[email protected]>

add initial version of CoC

6f10343caf8aa8d6cc058895df8cf601a22c4df4 authored over 4 years ago by Chris Bielow <[email protected]>

feat: FIA-MS scheduler

99eff5d1cb12abdd75e3860307ec354487b0b2eb authored over 4 years ago by Svetlana <[email protected]>

[NOP]

13e2a8f021e530346c3c2598b84ca5f2f7a9a3ac authored over 4 years ago by JuliaThüringer <[email protected]>

add new line at end of file

4f69a3d898eff283e40c7725e9291d3fba8b9b07 authored over 4 years ago by JuliaThüringer <[email protected]>

[PARAM] changed restrictions

MapAlignerTreeGuided only accepts alignment with feature RT
(align_algorithm:use_feature_rt)

36301a8095696c31f16eee00b043773ee44fa7ab authored over 4 years ago by JuliaThüringer <[email protected]>

[TEST] add TOPP_MapAlignerTreeGuided

as requested in pull request #4418: refactored tool to correct retention time distortions

ce330713858f1922b68219667b22ed7dd8879774 authored over 4 years ago by JuliaThüringer <[email protected]>

chore: clean the unrelated files

9777d18236e431a4967e01156e91cf9de07a1e77 authored over 4 years ago by Svetlana <[email protected]>

chore: remove installation files

df99d8d4a8b9dcbf25a0089001462b65851f1877 authored over 4 years ago by Svetlana <[email protected]>

feat: track noise

a5f9bfdbe33db6a49e5c63881f4ef486c1867657 authored over 4 years ago by Svetlana <[email protected]>

test: store progress

40f27b1f17c4464af3dec38d8092473c8f6a23ac authored over 4 years ago by Svetlana <[email protected]>

feat: save progress files

7b2da654e410102719b41e1e3cd7e612db44b650 authored over 4 years ago by Svetlana <[email protected]>

feat: load files

834786d46bbdd7847adf5e972d1050a22d4b2291 authored over 4 years ago by Svetlana <[email protected]>

feat: run function

90c084f29024c1302922eccf23f30a1ad5315366 authored over 4 years ago by Svetlana <[email protected]>

feat: accurate mass search

1838e2838aa74742781608fb277c404cb3219443 authored over 4 years ago by Svetlana <[email protected]>

test: merge along time

51990ab141a84cf7c80876abbeae4fedd1ae4d77 authored over 4 years ago by Svetlana <[email protected]>

feat: pass parameters

aa9a4f549b3c1c854c2de7a7fbcc18c2680e5044 authored over 4 years ago by Svetlana <[email protected]>

test: cut for time

f5bf39a8dfecfc40b57e57e4757967b50e1227a9 authored over 4 years ago by Svetlana <[email protected]>

chore: running tests

cf8373d0139436bd697fc11cdb7cf701545095bd authored over 4 years ago by Svetlana <[email protected]>

test: create test class

080bed2d37ac5853952369fcf54f8a06f7382e5e authored over 4 years ago by Svetlana <[email protected]>

feat: FIAMS processor

8b81ab340d6e36863ba7864aa16a33392fed607a authored over 4 years ago by Svetlana <[email protected]>

Merge pull request #4504 from OpenMS/timosachsenberg-patch-1

Update install-linux.doxygen

35b37e1e0699e1d71dc045face14890242a2f416 authored over 4 years ago by Timo Sachsenberg <[email protected]>

Update install-linux.doxygen

302ba0b0787e266292d13f3bb2ec431d2eaa4c34 authored over 4 years ago by Timo Sachsenberg <[email protected]>

Update install-linux.doxygen

0c01e5c74925487bb64680972b793182d8837692 authored over 4 years ago by Timo Sachsenberg <[email protected]>

Update install-linux.doxygen

ff9ae5b8d4ea340e0e609d39f38dca6b2b0a46f4 authored over 4 years ago by Timo Sachsenberg <[email protected]>

[TEST] added for MapAlignmentAlgorithmTreeGuided

11f3e04d620c15face24af440c3008c87976400c authored over 4 years ago by JuliaThüringer <[email protected]>

Merge pull request #4494 from hroest/feature/pydoc

Feature/pydoc

4fff096878bbbf52172d8aebfb5aa82dad7cfdae authored over 4 years ago by Hannes Roest <[email protected]>

Update install-linux.doxygen

69f44eb987a977e09f31b4bed69074e2a4e1998d authored over 4 years ago by Timo Sachsenberg <[email protected]>

[INTERNAL]

ad4a39631fe82362eea86b410e60f9c497553e45 authored over 4 years ago by JuliaThüringer <[email protected]>

Merge pull request #4482 from marcus-ludwig/feature/ffm_improved_isotope_detection

[Improvement] FeatureFindingMetabo improved isotope detection

974a90d2b50df137b384667cec77e51494aa50ed authored over 4 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/chrom_by_id

d0769e88cbf98874baf2bd4ce9e9be7220f29fd8 authored over 4 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #4419 from bernt-matthias/topic/tab-tsv

PercolatorAdapter: rename tab to tsv

d6068cdd204a2ccd8dd8b2d600d4aefd2db182fa authored over 4 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #4467 from bernt-matthias/topic/IDMassAccuracy-gnuplot

IDMAssAccuracy: explicitly specify gnuplot script

8c6a4825b7c19df00d9c673af176db2db3f9271f authored over 4 years ago by Timo Sachsenberg <[email protected]>

alignment algorithm handling default parameters

* TOPP tool can specify algorithm parameters for alignment and
data transformation
* for correct...

0dc687a8333d8e27df294941181616681e94a95b authored over 4 years ago by JuliaThüringer <[email protected]>

[FIX] class_test

06f59281afc47ead07643dbd9825a0638afe765a authored over 4 years ago by oliveralka <[email protected]>

[FIX] rm unneeded

e4a930e2b73a4f4e7e98580c35cf6071b8c8e925 authored over 4 years ago by oliveralka <[email protected]>

[ADD] Warning, automatically set to none

fd23ecb47fa40c0a480c759356decf23407dd400 authored over 4 years ago by oliveralka <[email protected]>

Merge branch 'topic/IDMassAccuracy-gnuplot' of https://github.com/bernt-matthias/OpenMS into topic/IDMassAccuracy-gnuplot

d3994b816dd50e72dbf01a3281258c9bb04f8a1c authored over 4 years ago by M Bernt <[email protected]>

add test for IDMassAccuracy

dfb4841695e42a99786ee3017433b9239657a8c3 authored over 4 years ago by M Bernt <[email protected]>

output tsv remove unneeded argumements

42fe884a5d995bafbf008870686f99bc44dcc8ea authored over 4 years ago by M Bernt <[email protected]>

[FIX] sytle

2e76421cf07236f833c20d248df4602c01a1e503 authored over 4 years ago by oliveralka <[email protected]>

Merge pull request #4475 from OpenMS/changelog2.5

Update CHANGELOG

d7805fa585c010808f05364da2274897e3506f7c authored over 4 years ago by jpfeuffer <[email protected]>

imagecreator

893fa8d478f23cc3d7ee4498b5c93918bd5e0eb3 authored over 4 years ago by jpfeuffer <[email protected]>

fix tabs

8619b050ff21e901b7b3e14c742bb387dbf0a678 authored over 4 years ago by jpfeuffer <[email protected]>

Update third_party_tests.cmake

4f61665b0d6d4497d0f5d6f896bc94c0c97d25cc authored over 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4491 from enetz/fix/MGF_title

[FEATURE] MascotGenericFile: keep TITLE info when reading and writing files

cf960d11a4dc08ff05fe23599e777836fbfa223c authored over 4 years ago by jpfeuffer <[email protected]>

Merge branch 'release/2.5.0' into fix/MGF_title

5a534c5e7e98a23db71efe6a6f1b814af65c51b5 authored over 4 years ago by jpfeuffer <[email protected]>

add new tests which check for writing tsv files

e644c55ed1957fff948b1f1611ec347174e81864 authored over 4 years ago by M Bernt <[email protected]>

code style fixes

63997fb92a9cbc77d3fcf131a46bb1f38e4dda8c authored over 4 years ago by M Bernt <[email protected]>

Fix linux debug sign comparison error/warning

6f1250adc4f5d19ba66f7c79d45e6a0ec376809f authored over 4 years ago by jpfeuffer <[email protected]>

Merge pull request #4480 from OpenMS/fix/add_reversed_suffix

Update FASTAContainer.h

becfc55b9e20dc133535f12a99babcdc2f4c3c83 authored over 4 years ago by jpfeuffer <[email protected]>

Update version numbers

defb0d940ed7f78b49aef1596e1c395dedeea191 authored over 4 years ago by Julianus Pfeuffer <[email protected]>

Changed copyright year.

94790282ebf0b65932da4a34a03f16eace253f77 authored over 4 years ago by Julianus Pfeuffer <[email protected]>

MapAlignmentAlgorithmTreeGuided functions

as requested in pull request #4418 following functions are moved to a
class inside the library:
...

1279e9b5da79bf2f137f74444f6087473f3e586b authored over 4 years ago by JuliaThüringer <[email protected]>

Update CHANGELOG

c3610cc60c209adbcb3b8edf86f140e3e2bc73fe authored almost 5 years ago by Chris Bielow <[email protected]>

Update CHANGELOG

02734f6c3af319e4a83257f4c4ae4e513cd71f56 authored almost 5 years ago by Chris Bielow <[email protected]>

Merge pull request #4497 from cbielow/TOPPAS_manyfiles

[FIX] TOPPAS: allow large number of input files [Windows issue]

5ae14e6c722464d91eb25520f54ce6826ed31aa4 authored almost 5 years ago by Chris Bielow <[email protected]>

Merge pull request #4493 from jpfeuffer/fix/checkOnlyDBFilenameDuringMerge

[Fix] check only db filename during merge

4707ff09582ac3d834a28d85cff3b59313d0e6a1 authored almost 5 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #4490 from Leon-Bichmann/add/maracluster_output_dev

MaRaCluster: keep original output in temp directory

6862049c1af9d3df750f4a15fedece1fef3ba8a7 authored almost 5 years ago by Timo Sachsenberg <[email protected]>

Docu and little refactor from review

6bd3f8f9ab5dd87a332d8cfd9708dcfc569f37b7 authored almost 5 years ago by Julianus Pfeuffer <[email protected]>

rm QDir

f501607e00dc9556d1d824cf263f54ea73bf92a3 authored almost 5 years ago by Leon Bichmann <[email protected]>

Refactor

3300b3d3cd81b29a8cce54ba54b220b0345ecc8c authored almost 5 years ago by Julianus Pfeuffer <[email protected]>

Update TOPPASToolVertex.cpp

7d05c5f262c8cf6d2557c1d7b51caf61f1ce04d3 authored almost 5 years ago by Chris Bielow <[email protected]>

add constant.

fix some warnings

39dbd2e0d67d940c3cd5926406362ad7491298ed authored almost 5 years ago by Chris Bielow <[email protected]>

[FIX] avoid stall on Windows when TOPPAS calls a TOPP tool with a very long list of input files (exceeding the 8k length limit)

2e4df1211601ac44438ec8a1d9e48d7237e2cb22 authored almost 5 years ago by Chris Bielow <[email protected]>

Merge pull request #4495 from cbielow/minor_feedback

docs

cc5f3e144e6dfad8b340fd8a04069b6c902cd1d1 authored almost 5 years ago by Timo Sachsenberg <[email protected]>

docs

689f21c5f8e7cd39d10162971b1f8e43f5210593 authored almost 5 years ago by Chris Bielow <[email protected]>

Merge pull request #4492 from cbielow/minor_feedback

some minor fixes

a36f3972899604c17f427376790a2d6a23d33519 authored almost 5 years ago by Timo Sachsenberg <[email protected]>

[DOC] prepare for autowrap documentation improvement

0a7682a51262d881ed6ebf91e855474decb4aee7 authored almost 5 years ago by Hannes Roest <[email protected]>

MS2 works great as compared to xtract.

For large masses it is OK.

Bug containing version. Will be fixed soon.

f398f77b9525b6f34bd3a662aaa7338248a3910e authored almost 5 years ago by kyowonjeong <[email protected]>

Cleanup includes

aa524251e9c122778accd3ea9f94bdba5efee8c0 authored almost 5 years ago by Julianus Pfeuffer <[email protected]>

change datatype

17e24b2b561cce6d8a0b6706c4a0f91e996ffbcc authored almost 5 years ago by Chris Bielow <[email protected]>

make Win compatible, add test

9b6746698dffa21f1508a0cb4dea7725c6125559 authored almost 5 years ago by Julianus Pfeuffer <[email protected]>

Update CHANGELOG

f684cfde8956df53d3ed9660a9b7a8a583c3d777 authored almost 5 years ago by Timo Sachsenberg <[email protected]>

[FIX] MGF: make unique title on loading file

c7e7f986e99b6d01c3f2e937fff8f32566138943 authored almost 5 years ago by enetz <[email protected]>

fix test

3d4bc6dd1a5f3273c21ee79ad913715efdb0dd2b authored almost 5 years ago by Chris Bielow <[email protected]>

[FIX] Only check filename of DB when merging ID Files/structures.

44669f9bc7a28f0ea1aaa19085381b00b7ca6393 authored almost 5 years ago by Julianus Pfeuffer <[email protected]>

[DOC] give user of PP-HiRes some feedback of which MS-levels were actually picked in auto-mode

00080e8704855bad3534773eaa43fa5605ca4aed authored almost 5 years ago by Chris Bielow <[email protected]>

some typo fixes

fe3211d14a737a6a1b8cd9f44df4d89641fcb092 authored almost 5 years ago by Chris Bielow <[email protected]>

[FIX] InternalCalibration: plot facets for severely oversampled data fixed

a52902bcc915fa747aa005e5bc94b64e77952a9a authored almost 5 years ago by Chris Bielow <[email protected]>

[TEST] MGF: added test for default TITLE

d42ac3e984f6a829efdac5076d8daeec7720cce8 authored almost 5 years ago by enetz <[email protected]>

[FIX] retracted changes to MGF nativeID

Only the TITLE of written out MGF files is changed

9e2f48b13a9b6706f3dd993d418b209ee607db66 authored almost 5 years ago by enetz <[email protected]>

rm doubled line

9972813dac4c10d34947a4cf8ffb207aa4e145b4 authored almost 5 years ago by Leon Bichmann <[email protected]>

template from Sirius adapter

131a0cba3593590cf947c1f23ae099824ff7da69 authored almost 5 years ago by Leon Bichmann <[email protected]>

Update src/openms/source/FILTERING/DATAREDUCTION/FeatureFindingMetabo.cpp

Co-Authored-By: Hannes Roest <[email protected]>

c1f7315c5efa863a1ee802ce0464389867768fad authored almost 5 years ago by marcus-ludwig <[email protected]>

added preliminary test for new isotope m/z scoring.

75c8840a2e624cd2c140cc483f2cee2ba1ca4d5d authored almost 5 years ago by marcusL <[email protected]>

split scoreMz_ method into two separate parts for the different scoring methods. corrected m/z standard deviation for scoring based on the isotope window calculated from elements.

7e5b958898433f4741008845ecb56adc1af1f0ed authored almost 5 years ago by marcusL <[email protected]>