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

[FIX] store TIC intensity as INT instead of double

572380c407ced3ac32c04c55450710e53541652e authored about 5 years ago by Chris Bielow <[email protected]>

[FIX] also look for "model_FWHM" metavalue in features in addition to "FWHM"

9f29eb24f3e91f7c3f9500c5b17250c25008b90c authored about 5 years ago by Chris Bielow <[email protected]>

[DOC] more internal doc and cleanup

e698a20ac050b922e06151083d20fe6f2d0648eb authored about 5 years ago by Chris Bielow <[email protected]>

fix: avoid buffer overflow in scanf width-specifier

f15c70bb3cfffb7045fb74c6299b2a1904ab2ffe authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

docs: Document removeCommasAndParseDouble()

d281e5ab9ad9a8724025cdf047735bdf65d50a0a authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

style: rename parseDouble() to removeCommasAndParseDouble()

8000e3bbc1af0772fec5c7296087dee6f9e4815f authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

fix: add field-width specifier in scanf

ccfc5a500f79a1080bbda207233a1ee68143d2d1 authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

Merge pull request #4241 from oliveralka/fix/sourceAGM

[FIX] AGM Warning PrimaryMSRunPath

74dd6a5b877a71048c45912988958124b7c21ab7 authored about 5 years ago by Timo Sachsenberg <[email protected]>

test: ChromeleonFile handles commas (thousands separator) in data points

6a75475d6cca0a76a17641fcca19e3ab06cd3cd0 authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

[FIX] add type instead of auto

fc60065295c3ffe16e86cde04c38e56f35442c8e authored about 5 years ago by oliveralka <[email protected]>

fix: ChromeleonFile can handle commas as thousands separator

203062f5566a27fba67a311566f48326809e8f9a authored about 5 years ago by Pasquale Domenico Colaianni <[email protected]>

[FIX] auto loop const ref

fb3999c9e8384e89646e4aef99bcf709125a6a52 authored about 5 years ago by oliveralka <[email protected]>

[FIX] potential loop

7b5a23f0ea121904739e3cc68f2e429034d1bfc2 authored about 5 years ago by oliveralka <[email protected]>

[FIX] Warning corresponding files AGM

a514f5d0a6bc87eeef0e70fff6ff642fb197e809 authored about 5 years ago by oliveralka <[email protected]>

Executable FLASHDeconv_prev

a250c7794cbf59475710ab5add0423b5e54b2d45 authored about 5 years ago by JeeK <[email protected]>

adding missing files

8029e0b34a0504826026b733fa41f05a15251937 authored about 5 years ago by JeeK <[email protected]>

merge with upstream

6fabbf8154658045291c801c7e4c55912116189c authored about 5 years ago by JeeK <[email protected]>

Saving changes...

f8c69596b93e684cfbd759767c70a9257b7862ca authored about 5 years ago by JeeK <[email protected]>

Adding FLASHDeconv as TOPP

5c68221309aa98d72fb67959011aa43787644e72 authored about 5 years ago by JeeK <[email protected]>

Adding FLASHDeconv as TOPP

5e81930b7557c40fbc33216bdc7f7597a03a277d authored about 5 years ago by JeeK <[email protected]>

FINAL VERSION

12fa681ca30e7421c420b46d8e9c8a6e09fafa4e authored about 5 years ago by kyowonjeong <[email protected]>

Allowing one isotope error

92c6f98d650f13cb55388169c8a5bdc95fd14bbb authored about 5 years ago by JeeK <[email protected]>

Works good for 120kda

95c23422b6323511624679251c09c2bcec651a1b authored about 5 years ago by kyowonjeong <[email protected]>

FINAL VERSION

1d0232fd8464db548782f00c0e9c7713f4a33a2f authored about 5 years ago by kyowonjeong <[email protected]>

isotope index bug fixed...

8ec74869501c73a5c50d41fad02674e9597d1c01 authored about 5 years ago by kyowonjeong <[email protected]>

Add error exception for unable to find column index

79020b0f76de4cc3edffb876335af270894c2d6b authored about 5 years ago by JeeK <[email protected]>

Works good for 120kda

18a3d9cf19ee71dbdd5e53e13bf81341a8caa338 authored about 5 years ago by kyowonjeong <[email protected]>

feature iso charge score added.

277d8f836977dd0cc3108a2c5db4c4e26a572f45 authored about 5 years ago by kyowonjeong <[email protected]>

feature iso charge score added.

abda7f5aa03b6e87fc70a463df6964de3bd57936 authored about 5 years ago by kyowonjeong <[email protected]>

jitter as parameter

be2c3be843b0bf6addf9ae346bf3a71cd5e63baa authored about 5 years ago by kyowonjeong <[email protected]>

parameter exp updated

7615a3cf06aeef928ca3558d1ce9945f6e39512e authored about 5 years ago by kyowonjeong <[email protected]>

jitter as parameter

8bcf939e4647a84b04d820eecb69f9420f412ed8 authored about 5 years ago by kyowonjeong <[email protected]>

Works well for std, complex, oval, and adc.... finally.

560a1c48c55fecca769b7be57d8692e333d62abc authored about 5 years ago by kyowonjeong <[email protected]>

output file name change format complete.

2a3582f027d6f17cf9b8f4efcfa36fba0c470e72 authored about 5 years ago by kyowonjeong <[email protected]>

feature iso charge score added.

0d6482cf7ea53f5a095ad002ac5fe17111a6d1b5 authored about 5 years ago by kyowonjeong <[email protected]>

Works well for std, complex, oval, and adc.... finally.

89e545318343b743e2ba18c73982b5caa4d43794 authored about 5 years ago by kyowonjeong <[email protected]>

Works well for std, complex, oval, and adc.... finally.

85b26dcb54ebc03e7e6f49724f19dd2385bdc50e authored about 5 years ago by kyowonjeong <[email protected]>

Works well for std, complex, oval, and adc.... finally.

b9f6a01a7059946187af03b1c37b824b360ebefe authored about 5 years ago by kyowonjeong <[email protected]>

Works well for std, complex, oval, and adc.... finally.

9e4d2a60714d9158b6ef9f777cf4de04c8853a51 authored about 5 years ago by kyowonjeong <[email protected]>

Cosine between charge intensity vs. Gaussian fit implemented -tested in std and myo

66d718c46cf38b30f57d97c1b38ccf9cefb788be authored about 5 years ago by kyowonjeong <[email protected]>

Cosine between charge intensity vs. Gaussian fit implemented.

09df1e876df16ad45bf1488172cab72a0f74b10a authored about 5 years ago by kyowonjeong <[email protected]>

Cosine between charge intensity vs. Gaussian fit implemented.

277935f7a378c8ccbf756f2e57e5956152ad49f3 authored about 5 years ago by kyowonjeong <[email protected]>

Modification file needed for DBsearchDeconvMass

f365e6cc35bf2f8db413f4d6fda89f83559ee45d authored about 5 years ago by JeeK <[email protected]>

Change structure to multimap and give tolerance as ppm. Mono mass and Average mass are both available.

ca1cd02f98bb137f5eedc20f50efcd61ee6d2a8d authored about 5 years ago by JeeK <[email protected]>

Fix codes for Jenkins build

c8c29cd7ac56cd0ae17992c6ec64a9ebf05f7761 authored about 5 years ago by JeeK <[email protected]>

from LOG_INFO to OPENMS_LOG_INFO

8b05fb2e1e2814c47a41e773d8c0f0146ad05e8a authored about 5 years ago by JeeK <[email protected]>

PERFECT.

Even tic

need to speed up

96602a787b6e03177cca5773c0a323fd9c8d0272 authored about 5 years ago by kyowonjeong <[email protected]>

PERFECT.

Even tic

need to speed up

0378174685dec2f3b150428dd53e51a6fb62ea2f authored about 5 years ago by kyowonjeong <[email protected]>

Small improvement

c87efb9ce646b8c77fc0049f4b684c96d08194fa authored about 5 years ago by kyowonjeong <[email protected]>

Header - fixed to MonoisotopicMass

Nominal mass removed

0671bef34be0ed7ba224dbef7be7948c689573df authored about 5 years ago by kyowonjeong <[email protected]>

mass bin out of range in getpeaksfrommassbin bug fixed

bc9aa44c65dc05b92d5b764943cdd665b110b86c authored about 5 years ago by kyowonjeong <[email protected]>

thermo std perfect

46a7a1e5ca2bd16f30a740536d574f818cfe762a authored about 5 years ago by kyowonjeong <[email protected]>

thermo std perfect

aaa6be59475bac93c013ae8111fc34890ac63d2e authored about 5 years ago by kyowonjeong <[email protected]>

mass bin out of range in getpeaksfrommassbin bug fixed

b87a3c4de92d6cd6ac88291bc69c95eadd87def2 authored about 5 years ago by kyowonjeong <[email protected]>

Feature quantity removed

933920286055d89f5a17d03f9685a8b5325c42a7 authored about 5 years ago by kyowonjeong <[email protected]>

Feature quantity removed

ef7f92a4859e86f27075bdb66148429ad9dab6c2 authored about 5 years ago by kyowonjeong <[email protected]>

thermo std perfect

8ed7b51a741cbd2a3136f4176b67728d1c025997 authored about 5 years ago by kyowonjeong <[email protected]>

Fixed after pierce thermo standard

d905444483706624511d8714341f43c5e8182401 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

4715a8875d469ced311d19f636552101a0266663 authored about 5 years ago by kyowonjeong <[email protected]>

cosine threshold calculation bug fixed

12f2e706630287d1bbc5e170964ae195bc815c6a authored about 5 years ago by kyowonjeong <[email protected]>

cosine threshold calculation bug fixed

afc2e04f4781101da4f956f253a798754b8c43f2 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

3d6cb982f5a93bfad355aa13c518524e3c567727 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

6999ccbd32f2e1d508b94acd5f39e57d2a5e655e authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

c72fed994cd60fb16a327957f8d519d80487e71e authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

bc390b0bba39f7df9e759586819c726cf5e01bb0 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

24449739c8f40f3715c00eae10d7498f0250e9db authored about 5 years ago by kyowonjeong <[email protected]>

Changed data structure for proteoforms to map instead of tree.

Fixed bugs on struct memory leak

87f7c24bcf351622b8ed55c1eb3d87fd0a828dae authored about 5 years ago by JeeK <[email protected]>

parameter fixed

59c0c7f62cffa3328297e66eb2ee69c63482c544 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

c2c4c2f362f7029e32205cf8621226936509d49b authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

72aa2354234c4735b0cf4f939a4edee93608178b authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

921a72fd5cbc17454ebcccb9108a4ca95155ad1a authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

6232dd83d8f258d9829ac6f24914c55ba660d085 authored about 5 years ago by kyowonjeong <[email protected]>

min max charge for feature added

c7044c5e27e006add0f42df6264cbb3f29960dee authored about 5 years ago by kyowonjeong <[email protected]>

min max charge for feature added

a768054add1518790532380d1a42af05ec267a06 authored about 5 years ago by kyowonjeong <[email protected]>

parameter fixed

b38390a7b21d9db825a32fe6f4428248a1de413a authored about 5 years ago by kyowonjeong <[email protected]>

Fix bug on writing result for exact mass search

0a8033095c4da7a2910f72bb0d3c30354c7e848a authored about 5 years ago by JeeK <[email protected]>

increase overlap in high mass area

5710f7cb3b26f29094255c6c4491f1785f991fb2 authored about 5 years ago by kyowonjeong <[email protected]>

increase overlap in high mass area

4f694f72d9bd0ff13b6347b03843aa31be1a2002 authored about 5 years ago by kyowonjeong <[email protected]>

increase overlap in high mass area

a82027094827c278863a4835163b1868cf22e01f authored about 5 years ago by kyowonjeong <[email protected]>

Input file as feature result and fix bug on output.

47e5915e95b41505b9d2224c6a257d7563937ddf authored about 5 years ago by JeeK <[email protected]>

Add unimod.xml for DBSearchDeconvMass

f0f393fc0b0b2b51d9cd3a287956c55a92a5c988 authored about 5 years ago by JeeK <[email protected]>

Done with algorithm.

Polishing in progress...

b0a8c022887c4ea2bfe245e520115d31856d75d8 authored about 5 years ago by JeeK <[email protected]>

Done with algorithm.

Polishing in progress...

5e54508d198f3f3d6b99a0c0dcead4024a645f2d authored about 5 years ago by JeeK <[email protected]>

sum log intensity as score

8b02d9bc554aec3f40c0b3f97c172a54afac9160 authored about 5 years ago by kyowonjeong <[email protected]>

mass overlap removal

61a25f220b13ba71c41707bf408b830b2c60d4c5 authored about 5 years ago by kyowonjeong <[email protected]>

sum log intensity as score

c5935a647568e7cd7688204a54a50147fda420ee authored about 5 years ago by kyowonjeong <[email protected]>