cheminfo/nmr-processing issues and pull requests

#235 - chore(main): release 9.3.3

Pull Request - State: closed - Opened by cheminfo-bot almost 2 years ago - 1 comment
Labels: autorelease: tagged

#234 - fix(rangeToACS): don't guess multiplicity

Pull Request - State: closed - Opened by jobo322 almost 2 years ago

#233 - ACS string should not invent multiplicity

Issue - State: closed - Opened by lpatiny almost 2 years ago - 3 comments
Labels: bug

#232 - fix: 2D data structure in predictAllSpectra.

Pull Request - State: closed - Opened by jobo322 almost 2 years ago - 1 comment

#231 - fix data structure of predictAllSpectra function

Issue - State: closed - Opened by jobo322 almost 2 years ago

#230 - chore(main): release 9.3.2

Pull Request - State: closed - Opened by cheminfo-bot almost 2 years ago - 1 comment
Labels: autorelease: tagged

#228 - predictall should not calculate 3 times getgroupeddiastereotopicatomids

Pull Request - State: closed - Opened by jobo322 almost 2 years ago - 2 comments

#227 - chore(main): release 9.3.1

Pull Request - State: closed - Opened by cheminfo-bot almost 2 years ago - 1 comment
Labels: autorelease: tagged

#226 - fix: windowSize depend of data n frequency

Pull Request - State: closed - Opened by jobo322 almost 2 years ago - 2 comments

#225 - windowSize should depend of data and frequency

Issue - State: closed - Opened by jobo322 almost 2 years ago

#224 - Load database from CSV

Issue - State: open - Opened by lpatiny almost 2 years ago

#223 - chore(main): release 9.3.0

Pull Request - State: closed - Opened by cheminfo-bot almost 2 years ago - 1 comment
Labels: autorelease: tagged

#222 - change DOI in CITATION.cff

Issue - State: closed - Opened by lpatiny almost 2 years ago

#221 - Add CITATION.cff

Issue - State: closed - Opened by lpatiny almost 2 years ago

#220 - feat: generate FID from signals

Pull Request - State: closed - Opened by jobo322 almost 2 years ago - 1 comment

#219 - generate FID

Issue - State: closed - Opened by jwist almost 2 years ago - 2 comments

#218 - feat: add optimizeSignals

Pull Request - State: closed - Opened by jobo322 about 2 years ago - 2 comments

#217 - Prediction error: cannot rescale a constant array

Issue - State: closed - Opened by targos about 2 years ago - 4 comments

#216 - chore(main): release 9.2.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#215 - Default parameter for prediction

Issue - State: closed - Opened by lpatiny about 2 years ago
Labels: bug

#214 - Fix error in PR

Issue - State: closed - Opened by lpatiny about 2 years ago

#213 - test: add failing test

Pull Request - State: closed - Opened by lpatiny about 2 years ago - 1 comment

#212 - feat: peak, signal, range, zones will have id

Pull Request - State: closed - Opened by jobo322 about 2 years ago - 2 comments

#211 - Optimize signals ?

Issue - State: closed - Opened by lpatiny about 2 years ago - 2 comments

#210 - chore: only release on labeled PR

Pull Request - State: closed - Opened by targos about 2 years ago - 2 comments

#209 - chore(main): release 9.1.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 3 comments
Labels: autorelease: tagged

#208 - fix(convertWidth): pure function

Pull Request - State: closed - Opened by jobo322 about 2 years ago - 3 comments

#207 - Mock responses of prediction webservice?

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

#206 - chore(main): release 9.0.3

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 2 comments
Labels: autorelease: tagged

#205 - Add unique ID

Issue - State: closed - Opened by lpatiny about 2 years ago - 4 comments
Labels: enhancement

#204 - chore: prerelease pull requests on npm

Pull Request - State: closed - Opened by targos about 2 years ago - 1 comment

#203 - chore(master): release 9.0.2

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#202 - add more test cases to xy functions

Issue - State: open - Opened by jobo322 about 2 years ago - 1 comment

#201 - internal function convertWidth is not pure

Issue - State: closed - Opened by jobo322 about 2 years ago

#200 - Should we rename observe to frequency ?

Issue - State: open - Opened by lpatiny about 2 years ago

#199 - chore(master): release 9.0.1

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#198 - chore(master): release 9.0.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#197 - fix: methods dependents of peak width

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#196 - chore(master): release 8.7.2

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#195 - fix janalyzer with the new width in Hz

Issue - State: closed - Opened by jobo322 about 2 years ago

#194 - chore(master): release 8.7.1

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#193 - fix(xyAutoPeakPicking): width returned in Hz

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#192 - xyAutoPeakPicking should return width and fwhm in Hertz

Issue - State: closed - Opened by jobo322 about 2 years ago

#191 - chore(master): release 8.7.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#190 - chore(master): release 8.6.1

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#189 - chore(master): release 8.6.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#188 - feat: add xyPeaksOptimization function

Pull Request - State: closed - Opened by jobo322 about 2 years ago - 2 comments

#187 - chore(master): release 8.5.1

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#186 - fix: update ml-gsd

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#185 - chore(master): release 8.5.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#184 - feat(xyAutoPeaksPicking): add lookFor options

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#183 - Add a method for peak shape analysis

Issue - State: closed - Opened by lpatiny about 2 years ago - 2 comments

#182 - chore(master): release 8.4.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#181 - feat(xyAutoPeakPicking): add lookPositive option

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#180 - be able to only pick negative peak in xy

Issue - State: closed - Opened by jobo322 about 2 years ago

#179 - Prediction and 'hsqc' 'hmbc'

Issue - State: open - Opened by lpatiny about 2 years ago - 1 comment

#178 - PredictAll should not calculate 3 times getGroupedDiastereotopicAtomIDs

Issue - State: closed - Opened by lpatiny about 2 years ago

#177 - 176 proton prediction returns empty string for singulets

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#176 - proton prediction returns empty string for singulets

Issue - State: closed - Opened by jobo322 about 2 years ago

#175 - chore(master): release 8.3.1

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#174 - fix: update dependencies

Pull Request - State: closed - Opened by jobo322 about 2 years ago

#173 - chore(master): release 8.3.0

Pull Request - State: closed - Opened by cheminfo-bot about 2 years ago - 1 comment
Labels: autorelease: tagged

#172 - Automatic assignment of coupling constants

Issue - State: open - Opened by lpatiny over 2 years ago

#171 - chore(master): release 8.2.0

Pull Request - State: closed - Opened by cheminfo-bot over 2 years ago - 1 comment
Labels: autorelease: tagged

#170 - feat: add options n function

Pull Request - State: closed - Opened by jobo322 over 2 years ago

#169 - fix: get default from-to based on nucleus n ranges

Pull Request - State: closed - Opened by jobo322 over 2 years ago

#168 - chore(master): release 8.1.0

Pull Request - State: closed - Opened by cheminfo-bot over 2 years ago - 1 comment
Labels: autorelease: tagged

#167 - feat: add new solvent suppression method

Pull Request - State: closed - Opened by jobo322 over 2 years ago - 1 comment

#166 - chore(master): release 8.0.1

Pull Request - State: closed - Opened by cheminfo-bot over 2 years ago
Labels: autorelease: pending

#165 - chore(master): release 8.0.0

Pull Request - State: closed - Opened by cheminfo-bot over 2 years ago - 1 comment
Labels: autorelease: tagged

#151 - Loading of Prediction take a long time

Issue - State: open - Opened by Sebastien-Ahkrin over 2 years ago - 6 comments

#140 - chore: release 6.0.9

Pull Request - State: closed - Opened by cheminfo-bot over 2 years ago
Labels: autorelease: pending

#136 - readme lost during TS migration

Issue - State: closed - Opened by targos over 2 years ago

#122 - chore: release 5.0.1

Pull Request - State: closed - Opened by cheminfo-bot almost 3 years ago
Labels: autorelease: pending

#114 - feat: automatic assignment for proton

Pull Request - State: closed - Opened by jobo322 almost 3 years ago - 1 comment
Labels: hacktoberfest-accepted

#13 - can we have a better source and more digits ? @jwist

Issue - State: open - Opened by lpatiny over 4 years ago - 2 comments

GitHub / cheminfo/nmr-processing issues and pull requests