cheminfo/nmr-processing issues and pull requests

#335 - fix: do not throw error if signals is empty

Pull Request - State: open - Opened by jobo322 about 1 year ago - 1 comment

#334 - chore(main): release 11.1.1

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#333 - feat: use numeral in ACS generation

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#332 - use numeral in ACS generation

Issue - State: closed - Opened by jobo322 about 1 year ago

#331 - chore(main): release 11.1.0

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#330 - chore(main): release 11.0.1

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#329 - fix: update TypeScript build configuration

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#328 - fix: update TypeScript build configuration

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#327 - Chore revert ts config changes

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago
Labels: autorelease: pending

#326 - Chore revert ts config changes

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago
Labels: autorelease: pending

#325 - Rever ts config changes

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#324 - chore: set moduleResolution to Node16

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#323 - chore: update TS config

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#322 - chore(main): release 11.0.0

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#321 - refactor!: rename key prefix 'origin' to 'original'

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#320 - chore(main): release 10.0.7

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#319 - chore(main): release 10.0.6

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#318 - fix: update ranges,zones,integrals and peaks when toggling a filter

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#317 - Add more test in predictSpectra

Issue - State: closed - Opened by lpatiny about 1 year ago - 4 comments

#316 - Use TopicMolecule in predictions

Issue - State: closed - Opened by lpatiny about 1 year ago

#315 - wip: using TopicMolecules

Pull Request - State: closed - Opened by lpatiny about 1 year ago

#314 - fix: wrong checking of frequencies

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#313 - chore(main): release 10.0.5

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#312 - fix: prevent update the y domain for the baseline correction

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#311 - fix: wrong groupedDiaID type

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#310 - chore(main): release 10.0.4

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#309 - chore(main): release 10.0.3

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#308 - fix: reference correctly to integrals/ranges object

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago - 1 comment

#307 - NMR references

Issue - State: open - Opened by lpatiny about 1 year ago

#306 - chore(main): release 10.0.2

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#305 - chore(main): release 10.0.1

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#304 - chore(main): release 10.0.0

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#303 - chore(main): release 9.9.2

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#302 - prediction on demand

Pull Request - State: closed - Opened by jobo322 about 1 year ago - 1 comment

#301 - chore(main): release 9.9.1

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#300 - fix: shift 2D x and y filters reduced object

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#299 - fix: shift 2d ( x and y ) filters parameters

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#298 - Improve predictAll

Issue - State: closed - Opened by lpatiny about 1 year ago
Labels: enhancement

#297 - chore(main): release 9.9.0

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#296 - fix: 2d phasecorrection

Pull Request - State: open - Opened by jobo322 about 1 year ago

#295 - chore(main): release 9.8.1

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#294 - chore(main): release 9.8.0

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#293 - Add fft2d filters

Pull Request - State: closed - Opened by jobo322 about 1 year ago - 1 comment

#292 - Duplicate files?

Issue - State: open - Opened by targos about 1 year ago - 2 comments

#291 - Adapt to new eslint rules

Pull Request - State: closed - Opened by jobo322 about 1 year ago - 1 comment

#290 - chore(main): release 9.7.8

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#289 - Do not try to join long couplings

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#288 - fix: make optional most of SpinSystem

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#287 - fix: support for dot ended pattern names

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#286 - fix resurrect an avoid skipped test

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#285 - fix: expose simulate1D

Pull Request - State: closed - Opened by hamed-musallam about 1 year ago

#284 - chore(main): release 9.7.7

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#283 - chore(main): release 9.7.6

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#282 - wip: expose simulate1D

Pull Request - State: closed - Opened by lpatiny about 1 year ago

#281 - chore(main): release 9.7.5

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#280 - fix: avoid rescaling if intensity data is zero

Pull Request - State: closed - Opened by jobo322 about 1 year ago

#279 - Add docs and rename ?

Issue - State: open - Opened by lpatiny about 1 year ago

#278 - chore(main): release 9.7.4

Pull Request - State: closed - Opened by cheminfo-bot about 1 year ago - 1 comment
Labels: autorelease: tagged

#277 - Fix xyautopeaks autowindow

Pull Request - State: closed - Opened by tpoisseau about 1 year ago

#276 - chore(main): release 9.7.3

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#275 - Check predictions before simulate in predictAll

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 3 comments

#274 - chore(main): release 9.7.2

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#273 - Simulation negative chemical shift

Pull Request - State: closed - Opened by jobo322 over 1 year ago

#272 - refactor: set integral object required

Pull Request - State: closed - Opened by hamed-musallam over 1 year ago

#271 - chore(main): release 9.7.1

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#270 - add and check the behavior of info.reverse in fft filter

Issue - State: closed - Opened by jobo322 over 1 year ago - 1 comment

#269 - chore(main): release 9.7.0

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#268 - add missing multiplicity to solvent impurities DBs

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 6 comments

#267 - chore(main): release 9.6.1

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#266 - fix: mapRanges accepts NMRRange

Pull Request - State: closed - Opened by jobo322 over 1 year ago

#265 - chore(main): release 9.6.0

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#264 - fix: don't throw an error if nucleus does not exists

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 1 comment

#263 - chore(main): release 9.5.1

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#262 - Signal / NMRSignal / Range / NMRRange ?

Issue - State: open - Opened by lpatiny over 1 year ago

#261 - optimizeSignals crash on negative ppm?

Issue - State: open - Opened by otrobernal over 1 year ago

#260 - xyAutoPeaksPicking would not pick satellites

Issue - State: open - Opened by otrobernal over 1 year ago - 2 comments

#259 - Empty smiles crash predictAllSpectra

Issue - State: closed - Opened by lpatiny over 1 year ago - 1 comment

#258 - test: failing test with predictAllSpectra of empty smiles

Pull Request - State: closed - Opened by lpatiny over 1 year ago - 1 comment

#257 - adding multiplicity utils

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 2 comments

#256 - add acs suggested multiplicity to normalize multiplicity patterns

Pull Request - State: closed - Opened by jobo322 over 1 year ago

#255 - chore(main): release 9.5.0

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#254 - Normalize coupling in ACS string

Issue - State: closed - Opened by lpatiny over 1 year ago

#253 - chore(main): release 9.4.1

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#252 - NMR assignment and ACS string for 1D and 2D

Issue - State: open - Opened by lpatiny over 1 year ago

#251 - add MultiplicityPatterns constant to be used everywhere

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 4 comments

#250 - chore(main): release 9.4.0

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#249 - feat: expose signalJoinCouplings

Pull Request - State: closed - Opened by jobo322 over 1 year ago

#248 - predictCarbon uses predict webservice

Pull Request - State: closed - Opened by jobo322 over 1 year ago

#247 - 246 add bidimensional fft

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 2 comments

#246 - add bidimensional fft

Issue - State: closed - Opened by jobo322 over 1 year ago - 1 comment

#245 - Check why tests are skipped

Issue - State: closed - Opened by lpatiny over 1 year ago

#244 - chore(main): release 9.3.8

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#243 - chore(main): release 9.3.7

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#242 - replace nmrdb by webservice

Issue - State: closed - Opened by lpatiny over 1 year ago

#241 - chore(main): release 9.3.6

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#240 - fix: update from-to in range from resurrect

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 1 comment

#239 - chore(main): release 9.3.5

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#238 - chore(main): release 9.3.4

Pull Request - State: closed - Opened by cheminfo-bot over 1 year ago - 1 comment
Labels: autorelease: tagged

#237 - add filtermanager that can be used in nmrium

Pull Request - State: closed - Opened by jobo322 over 1 year ago - 10 comments

#236 - add FilterManager that can be used in nmrium

Issue - State: closed - Opened by jobo322 over 1 year ago - 3 comments

GitHub / cheminfo/nmr-processing issues and pull requests