nmr-processing 9.5.1 → 9.5.2-pre.1685982544
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/lib/apodization/apodization.d.ts +11 -5
- package/lib/apodization/apodization.js +7 -4
- package/lib/apodization/apodization.js.map +1 -1
- package/lib/apodization/applyWindow.js.map +1 -1
- package/lib/apodization/compose.js.map +1 -1
- package/lib/apodization/getFunction.js +3 -0
- package/lib/apodization/getFunction.js.map +1 -1
- package/lib/apodization/shapes/WindowFunctions.d.ts +6 -1
- package/lib/apodization/shapes/sineBell.d.ts +27 -0
- package/lib/apodization/shapes/sineBell.js +17 -0
- package/lib/apodization/shapes/sineBell.js.map +1 -0
- package/lib/apodization/utils/getData.js.map +1 -1
- package/lib/assignment/utils/getAssignment/buildAssignments.js +2 -3
- package/lib/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib/constants/SignalsKinds.d.ts +9 -0
- package/lib/constants/SignalsKinds.js +40 -0
- package/lib/constants/SignalsKinds.js.map +1 -0
- package/lib/datum/ExclusionZone.d.ts +5 -0
- package/lib/datum/ExclusionZone.js +3 -0
- package/lib/datum/ExclusionZone.js.map +1 -0
- package/lib/datum/Filters.d.ts +14 -0
- package/lib/datum/Filters.js +55 -0
- package/lib/datum/Filters.js.map +1 -0
- package/lib/datum/FiltersManager.d.ts +31 -0
- package/lib/datum/FiltersManager.js +184 -0
- package/lib/datum/FiltersManager.js.map +1 -0
- package/lib/datum/MatrixFilter.d.ts +39 -0
- package/lib/datum/MatrixFilter.js +3 -0
- package/lib/datum/MatrixFilter.js.map +1 -0
- package/lib/datum/MatrixOptions.d.ts +28 -0
- package/lib/datum/MatrixOptions.js +3 -0
- package/lib/datum/MatrixOptions.js.map +1 -0
- package/lib/datum/data1d/Entry1D.d.ts +17 -0
- package/lib/datum/data1d/Entry1D.js +3 -0
- package/lib/datum/data1d/Entry1D.js.map +1 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.d.ts +25 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.js +36 -0
- package/lib/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.d.ts +14 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js +37 -0
- package/lib/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.d.ts +32 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.js +61 -0
- package/lib/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
- package/lib/datum/data1d/filter1d/digitalFilter.d.ts +23 -0
- package/lib/datum/data1d/filter1d/digitalFilter.js +54 -0
- package/lib/datum/data1d/filter1d/digitalFilter.js.map +1 -0
- package/lib/datum/data1d/filter1d/equallySpaced.d.ts +31 -0
- package/lib/datum/data1d/filter1d/equallySpaced.js +59 -0
- package/lib/datum/data1d/filter1d/equallySpaced.js.map +1 -0
- package/lib/datum/data1d/filter1d/exclusionZones.d.ts +11 -0
- package/lib/datum/data1d/filter1d/exclusionZones.js +35 -0
- package/lib/datum/data1d/filter1d/exclusionZones.js.map +1 -0
- package/lib/datum/data1d/filter1d/fft.d.ts +19 -0
- package/lib/datum/data1d/filter1d/fft.js +93 -0
- package/lib/datum/data1d/filter1d/fft.js.map +1 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.d.ts +33 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.js +83 -0
- package/lib/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
- package/lib/datum/data1d/filter1d/shiftX.d.ts +22 -0
- package/lib/datum/data1d/filter1d/shiftX.js +33 -0
- package/lib/datum/data1d/filter1d/shiftX.js.map +1 -0
- package/lib/datum/data1d/filter1d/signalProcessing.d.ts +17 -0
- package/lib/datum/data1d/filter1d/signalProcessing.js +87 -0
- package/lib/datum/data1d/filter1d/signalProcessing.js.map +1 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.d.ts +7 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +37 -0
- package/lib/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
- package/lib/datum/data1d/filter1d/zeroFilling.d.ts +23 -0
- package/lib/datum/data1d/filter1d/zeroFilling.js +61 -0
- package/lib/datum/data1d/filter1d/zeroFilling.js.map +1 -0
- package/lib/datum/data1d/utils/RangeUtilities.d.ts +22 -0
- package/lib/datum/data1d/utils/RangeUtilities.js +83 -0
- package/lib/datum/data1d/utils/RangeUtilities.js.map +1 -0
- package/lib/datum/data1d/utils/checkIntegralKind.d.ts +7 -0
- package/lib/datum/data1d/utils/checkIntegralKind.js +14 -0
- package/lib/datum/data1d/utils/checkIntegralKind.js.map +1 -0
- package/lib/datum/data1d/utils/checkRangeKind.d.ts +2 -0
- package/lib/datum/data1d/utils/checkRangeKind.js +10 -0
- package/lib/datum/data1d/utils/checkRangeKind.js.map +1 -0
- package/lib/datum/data1d/utils/getShiftX.d.ts +2 -0
- package/lib/datum/data1d/utils/getShiftX.js +11 -0
- package/lib/datum/data1d/utils/getShiftX.js.map +1 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.d.ts +2 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.js +9 -0
- package/lib/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
- package/lib/datum/data1d/utils/mapIntegrals.d.ts +13 -0
- package/lib/datum/data1d/utils/mapIntegrals.js +41 -0
- package/lib/datum/data1d/utils/mapIntegrals.js.map +1 -0
- package/lib/datum/data1d/utils/mapPeaks.d.ts +4 -0
- package/lib/datum/data1d/utils/mapPeaks.js +50 -0
- package/lib/datum/data1d/utils/mapPeaks.js.map +1 -0
- package/lib/datum/data1d/utils/mapRanges.d.ts +38 -0
- package/lib/datum/data1d/utils/mapRanges.js +83 -0
- package/lib/datum/data1d/utils/mapRanges.js.map +1 -0
- package/lib/datum/data1d/utils/mapValues.d.ts +26 -0
- package/lib/datum/data1d/utils/mapValues.js +15 -0
- package/lib/datum/data1d/utils/mapValues.js.map +1 -0
- package/lib/datum/data1d/utils/updateIntegrals.d.ts +2 -0
- package/lib/datum/data1d/utils/updateIntegrals.js +11 -0
- package/lib/datum/data1d/utils/updateIntegrals.js.map +1 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.d.ts +2 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js +26 -0
- package/lib/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
- package/lib/datum/data1d/utils/updatePeaks.d.ts +2 -0
- package/lib/datum/data1d/utils/updatePeaks.js +12 -0
- package/lib/datum/data1d/utils/updatePeaks.js.map +1 -0
- package/lib/datum/data1d/utils/updateRanges.d.ts +2 -0
- package/lib/datum/data1d/utils/updateRanges.js +14 -0
- package/lib/datum/data1d/utils/updateRanges.js.map +1 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.d.ts +2 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.js +26 -0
- package/lib/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
- package/lib/datum/data2d/Entry2D.d.ts +12 -0
- package/lib/datum/data2d/Entry2D.js +3 -0
- package/lib/datum/data2d/Entry2D.js.map +1 -0
- package/lib/datum/data2d/filter2d/shiftX.d.ts +16 -0
- package/lib/datum/data2d/filter2d/shiftX.js +34 -0
- package/lib/datum/data2d/filter2d/shiftX.js.map +1 -0
- package/lib/datum/data2d/filter2d/shiftY.d.ts +16 -0
- package/lib/datum/data2d/filter2d/shiftY.js +34 -0
- package/lib/datum/data2d/filter2d/shiftY.js.map +1 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.d.ts +6 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js +14 -0
- package/lib/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
- package/lib/datum/data2d/utils/getShift.d.ts +6 -0
- package/lib/datum/data2d/utils/getShift.js +20 -0
- package/lib/datum/data2d/utils/getShift.js.map +1 -0
- package/lib/datum/data2d/utils/isZoneExists.d.ts +4 -0
- package/lib/datum/data2d/utils/isZoneExists.js +20 -0
- package/lib/datum/data2d/utils/isZoneExists.js.map +1 -0
- package/lib/datum/data2d/utils/mapZones.d.ts +34 -0
- package/lib/datum/data2d/utils/mapZones.js +68 -0
- package/lib/datum/data2d/utils/mapZones.js.map +1 -0
- package/lib/datum/data2d/utils/updateZones.d.ts +2 -0
- package/lib/datum/data2d/utils/updateZones.js +12 -0
- package/lib/datum/data2d/utils/updateZones.js.map +1 -0
- package/lib/index.d.ts +29 -0
- package/lib/index.js +26 -0
- package/lib/index.js.map +1 -1
- package/lib/multiplicity/joinPatterns.js +1 -1
- package/lib/multiplicity/joinPatterns.js.map +1 -1
- package/lib/prediction/utils/getPredictions.js +1 -1
- package/lib/prediction/utils/getPredictions.js.map +1 -1
- package/lib/signal/signalJoinCouplings.js +2 -5
- package/lib/signal/signalJoinCouplings.js.map +1 -1
- package/lib/signal/signalMultiplicityPattern.js +1 -1
- package/lib/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib/signals/optimization/getInternalSignals.js +3 -5
- package/lib/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib/signals/signalsJoin.js +4 -8
- package/lib/signals/signalsJoin.js.map +1 -1
- package/lib/signals/signalsToRanges.js.map +1 -1
- package/lib/signals/signalsToXY.js +1 -2
- package/lib/signals/signalsToXY.js.map +1 -1
- package/lib/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib/signals/utils/jAnalyzer.d.ts +11 -8
- package/lib/signals/utils/jAnalyzer.js.map +1 -1
- package/lib/types/Data1D.d.ts +5 -0
- package/lib/types/Data1D.js +3 -0
- package/lib/types/Data1D.js.map +1 -0
- package/lib/types/Data2D.d.ts +5 -0
- package/{lib-esm/xyz → lib/types}/Data2D.js.map +1 -1
- package/lib/types/Filter.d.ts +11 -0
- package/lib/types/Filter.js +3 -0
- package/lib/types/Filter.js.map +1 -0
- package/lib/types/Info/Info.d.ts +15 -0
- package/lib/types/Info/Info.js +3 -0
- package/lib/types/Info/Info.js.map +1 -0
- package/lib/types/Info/Info1D.d.ts +13 -0
- package/lib/types/Info/Info1D.js +3 -0
- package/lib/types/Info/Info1D.js.map +1 -0
- package/lib/types/Info/Info2D.d.ts +10 -0
- package/lib/types/Info/Info2D.js +3 -0
- package/lib/types/Info/Info2D.js.map +1 -0
- package/lib/types/Integral.d.ts +10 -0
- package/lib/types/Integral.js +3 -0
- package/lib/types/Integral.js.map +1 -0
- package/lib/types/Integrals.d.ts +6 -0
- package/lib/types/Integrals.js +3 -0
- package/lib/types/Integrals.js.map +1 -0
- package/lib/types/Options/SumOptions.d.ts +24 -0
- package/lib/types/Options/SumOptions.js +3 -0
- package/lib/types/Options/SumOptions.js.map +1 -0
- package/lib/types/Peaks/BasePeak.d.ts +3 -0
- package/lib/types/Peaks/BasePeak.js +3 -0
- package/lib/types/Peaks/BasePeak.js.map +1 -0
- package/lib/types/Peaks/Peak1D.d.ts +5 -0
- package/lib/types/Peaks/Peak1D.js +3 -0
- package/lib/types/Peaks/Peak1D.js.map +1 -0
- package/lib/types/Peaks/Peak2D.d.ts +13 -0
- package/lib/types/Peaks/Peak2D.js +3 -0
- package/lib/types/Peaks/Peak2D.js.map +1 -0
- package/lib/types/Peaks/Peaks.d.ts +5 -0
- package/lib/types/Peaks/Peaks.js +3 -0
- package/lib/types/Peaks/Peaks.js.map +1 -0
- package/lib/types/Ranges/Ranges.d.ts +16 -0
- package/lib/types/Ranges/Ranges.js +3 -0
- package/lib/types/Ranges/Ranges.js.map +1 -0
- package/lib/types/Signals/Signal.d.ts +4 -0
- package/lib/types/Signals/Signal.js +3 -0
- package/lib/types/Signals/Signal.js.map +1 -0
- package/lib/types/Signals/Signal1D.d.ts +6 -0
- package/lib/types/Signals/Signal1D.js +3 -0
- package/lib/types/Signals/Signal1D.js.map +1 -0
- package/lib/types/Signals/Signal2D.d.ts +18 -0
- package/lib/types/Signals/Signal2D.js +3 -0
- package/lib/types/Signals/Signal2D.js.map +1 -0
- package/lib/types/Zones/Zone.d.ts +13 -0
- package/lib/types/Zones/Zone.js +3 -0
- package/lib/types/Zones/Zone.js.map +1 -0
- package/lib/types/Zones/Zones.d.ts +5 -0
- package/lib/types/Zones/Zones.js +3 -0
- package/lib/types/Zones/Zones.js.map +1 -0
- package/lib/types/common/MapOptions.d.ts +5 -0
- package/lib/types/common/MapOptions.js +3 -0
- package/lib/types/common/MapOptions.js.map +1 -0
- package/lib/utilities/checkData2DFid.d.ts +3 -0
- package/lib/utilities/checkData2DFid.js +10 -0
- package/lib/utilities/checkData2DFid.js.map +1 -0
- package/lib/utilities/cloneData1D.d.ts +6 -0
- package/lib/utilities/cloneData1D.js +9 -0
- package/lib/utilities/cloneData1D.js.map +1 -0
- package/lib/utilities/cloneData2D.d.ts +2 -0
- package/lib/utilities/cloneData2D.js +28 -0
- package/lib/utilities/cloneData2D.js.map +1 -0
- package/lib/utilities/getSum.d.ts +8 -0
- package/lib/utilities/getSum.js +24 -0
- package/lib/utilities/getSum.js.map +1 -0
- package/lib/xyz/quadrature.d.ts +7 -0
- package/lib/xyz/quadrature.js +54 -0
- package/lib/xyz/quadrature.js.map +1 -0
- package/lib/xyz/util/fft2d/digitalFilter.d.ts +7 -0
- package/lib/xyz/util/fft2d/digitalFilter.js +20 -0
- package/lib/xyz/util/fft2d/digitalFilter.js.map +1 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.d.ts +24 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.js +57 -0
- package/lib/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.d.ts +23 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.js +71 -0
- package/lib/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
- package/lib/xyz/util/fft2d/removeDCOffset.d.ts +5 -0
- package/lib/xyz/util/fft2d/removeDCOffset.js +19 -0
- package/lib/xyz/util/fft2d/removeDCOffset.js.map +1 -0
- package/lib/xyz/util/fft2d/zeroFilling.d.ts +10 -0
- package/lib/xyz/util/fft2d/zeroFilling.js +29 -0
- package/lib/xyz/util/fft2d/zeroFilling.js.map +1 -0
- package/lib/xyz/util/padData.d.ts +5 -3
- package/lib/xyz/util/padData.js +7 -7
- package/lib/xyz/util/padData.js.map +1 -1
- package/lib/xyz/xyzAutoSignalsPicking.d.ts +2 -2
- package/lib/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib/xyz/xyzAutoZonesPicking.d.ts +2 -8
- package/lib/xyz/xyzAutoZonesPicking.js.map +1 -1
- package/lib/xyz/xyzBidimensionalFFT.d.ts +40 -0
- package/lib/xyz/xyzBidimensionalFFT.js +79 -0
- package/lib/xyz/xyzBidimensionalFFT.js.map +1 -0
- package/lib/xyz/xyzJResAnalyzer.d.ts +1 -4
- package/lib/xyz/xyzJResAnalyzer.js +34 -26
- package/lib/xyz/xyzJResAnalyzer.js.map +1 -1
- package/lib-esm/apodization/apodization.js +7 -4
- package/lib-esm/apodization/apodization.js.map +1 -1
- package/lib-esm/apodization/applyWindow.js.map +1 -1
- package/lib-esm/apodization/compose.js.map +1 -1
- package/lib-esm/apodization/getFunction.js +3 -0
- package/lib-esm/apodization/getFunction.js.map +1 -1
- package/lib-esm/apodization/shapes/sineBell.js +13 -0
- package/lib-esm/apodization/shapes/sineBell.js.map +1 -0
- package/lib-esm/apodization/utils/getData.js.map +1 -1
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js +2 -3
- package/lib-esm/assignment/utils/getAssignment/buildAssignments.js.map +1 -1
- package/lib-esm/constants/SignalsKinds.js +37 -0
- package/lib-esm/constants/SignalsKinds.js.map +1 -0
- package/lib-esm/datum/ExclusionZone.js +2 -0
- package/lib-esm/datum/ExclusionZone.js.map +1 -0
- package/lib-esm/datum/Filters.js +28 -0
- package/lib-esm/datum/Filters.js.map +1 -0
- package/lib-esm/datum/FiltersManager.js +175 -0
- package/lib-esm/datum/FiltersManager.js.map +1 -0
- package/lib-esm/datum/MatrixFilter.js +2 -0
- package/lib-esm/datum/MatrixFilter.js.map +1 -0
- package/lib-esm/datum/MatrixOptions.js +2 -0
- package/lib-esm/datum/MatrixOptions.js.map +1 -0
- package/lib-esm/datum/data1d/Entry1D.js +2 -0
- package/lib-esm/datum/data1d/Entry1D.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodization.js +30 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodization.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js +33 -0
- package/lib-esm/datum/data1d/filter1d/apodization/apodizationFilter.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js +52 -0
- package/lib-esm/datum/data1d/filter1d/baselineCorrection.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js +48 -0
- package/lib-esm/datum/data1d/filter1d/digitalFilter.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/equallySpaced.js +53 -0
- package/lib-esm/datum/data1d/filter1d/equallySpaced.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/exclusionZones.js +29 -0
- package/lib-esm/datum/data1d/filter1d/exclusionZones.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/fft.js +87 -0
- package/lib-esm/datum/data1d/filter1d/fft.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js +77 -0
- package/lib-esm/datum/data1d/filter1d/phaseCorrection.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/shiftX.js +27 -0
- package/lib-esm/datum/data1d/filter1d/shiftX.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js +57 -0
- package/lib-esm/datum/data1d/filter1d/signalProcessing.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js +33 -0
- package/lib-esm/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.js.map +1 -0
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js +55 -0
- package/lib-esm/datum/data1d/filter1d/zeroFilling.js.map +1 -0
- package/lib-esm/datum/data1d/utils/RangeUtilities.js +69 -0
- package/lib-esm/datum/data1d/utils/RangeUtilities.js.map +1 -0
- package/lib-esm/datum/data1d/utils/checkIntegralKind.js +10 -0
- package/lib-esm/datum/data1d/utils/checkIntegralKind.js.map +1 -0
- package/lib-esm/datum/data1d/utils/checkRangeKind.js +6 -0
- package/lib-esm/datum/data1d/utils/checkRangeKind.js.map +1 -0
- package/lib-esm/datum/data1d/utils/getShiftX.js +7 -0
- package/lib-esm/datum/data1d/utils/getShiftX.js.map +1 -0
- package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js +5 -0
- package/lib-esm/datum/data1d/utils/getSpectrumErrorValue.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapIntegrals.js +37 -0
- package/lib-esm/datum/data1d/utils/mapIntegrals.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapPeaks.js +46 -0
- package/lib-esm/datum/data1d/utils/mapPeaks.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapRanges.js +79 -0
- package/lib-esm/datum/data1d/utils/mapRanges.js.map +1 -0
- package/lib-esm/datum/data1d/utils/mapValues.js +11 -0
- package/lib-esm/datum/data1d/utils/mapValues.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateIntegrals.js +7 -0
- package/lib-esm/datum/data1d/utils/updateIntegrals.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js +22 -0
- package/lib-esm/datum/data1d/utils/updateIntegralsRelativeValues.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updatePeaks.js +8 -0
- package/lib-esm/datum/data1d/utils/updatePeaks.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateRanges.js +10 -0
- package/lib-esm/datum/data1d/utils/updateRanges.js.map +1 -0
- package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js +22 -0
- package/lib-esm/datum/data1d/utils/updateRangesRelativeValues.js.map +1 -0
- package/lib-esm/datum/data2d/Entry2D.js +2 -0
- package/lib-esm/datum/data2d/Entry2D.js.map +1 -0
- package/lib-esm/datum/data2d/filter2d/shiftX.js +28 -0
- package/lib-esm/datum/data2d/filter2d/shiftX.js.map +1 -0
- package/lib-esm/datum/data2d/filter2d/shiftY.js +28 -0
- package/lib-esm/datum/data2d/filter2d/shiftY.js.map +1 -0
- package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js +10 -0
- package/lib-esm/datum/data2d/utils/get2DSpectrumErrorValue.js.map +1 -0
- package/lib-esm/datum/data2d/utils/getShift.js +16 -0
- package/lib-esm/datum/data2d/utils/getShift.js.map +1 -0
- package/lib-esm/datum/data2d/utils/isZoneExists.js +16 -0
- package/lib-esm/datum/data2d/utils/isZoneExists.js.map +1 -0
- package/lib-esm/datum/data2d/utils/mapZones.js +64 -0
- package/lib-esm/datum/data2d/utils/mapZones.js.map +1 -0
- package/lib-esm/datum/data2d/utils/updateZones.js +8 -0
- package/lib-esm/datum/data2d/utils/updateZones.js.map +1 -0
- package/lib-esm/index.js +13 -0
- package/lib-esm/index.js.map +1 -1
- package/lib-esm/multiplicity/joinPatterns.js +1 -1
- package/lib-esm/multiplicity/joinPatterns.js.map +1 -1
- package/lib-esm/prediction/utils/getPredictions.js +1 -1
- package/lib-esm/prediction/utils/getPredictions.js.map +1 -1
- package/lib-esm/signal/signalJoinCouplings.js +2 -2
- package/lib-esm/signal/signalJoinCouplings.js.map +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js +1 -1
- package/lib-esm/signal/signalMultiplicityPattern.js.map +1 -1
- package/lib-esm/signals/optimization/getInternalSignals.js +3 -5
- package/lib-esm/signals/optimization/getInternalSignals.js.map +1 -1
- package/lib-esm/signals/signalsJoin.js +4 -5
- package/lib-esm/signals/signalsJoin.js.map +1 -1
- package/lib-esm/signals/signalsToRanges.js.map +1 -1
- package/lib-esm/signals/signalsToXY.js +2 -3
- package/lib-esm/signals/signalsToXY.js.map +1 -1
- package/lib-esm/signals/simulation/simulateXYPeaks.js.map +1 -1
- package/lib-esm/signals/utils/jAnalyzer.js.map +1 -1
- package/lib-esm/types/Data1D.js +2 -0
- package/lib-esm/types/Data1D.js.map +1 -0
- package/{lib/xyz → lib-esm/types}/Data2D.js.map +1 -1
- package/lib-esm/types/Filter.js +2 -0
- package/lib-esm/types/Filter.js.map +1 -0
- package/lib-esm/types/Info/Info.js +2 -0
- package/lib-esm/types/Info/Info.js.map +1 -0
- package/lib-esm/types/Info/Info1D.js +2 -0
- package/lib-esm/types/Info/Info1D.js.map +1 -0
- package/lib-esm/types/Info/Info2D.js +2 -0
- package/lib-esm/types/Info/Info2D.js.map +1 -0
- package/lib-esm/types/Integral.js +2 -0
- package/lib-esm/types/Integral.js.map +1 -0
- package/lib-esm/types/Integrals.js +2 -0
- package/lib-esm/types/Integrals.js.map +1 -0
- package/lib-esm/types/Options/SumOptions.js +2 -0
- package/lib-esm/types/Options/SumOptions.js.map +1 -0
- package/lib-esm/types/Peaks/BasePeak.js +2 -0
- package/lib-esm/types/Peaks/BasePeak.js.map +1 -0
- package/lib-esm/types/Peaks/Peak1D.js +2 -0
- package/lib-esm/types/Peaks/Peak1D.js.map +1 -0
- package/lib-esm/types/Peaks/Peak2D.js +2 -0
- package/lib-esm/types/Peaks/Peak2D.js.map +1 -0
- package/lib-esm/types/Peaks/Peaks.js +2 -0
- package/lib-esm/types/Peaks/Peaks.js.map +1 -0
- package/lib-esm/types/Ranges/Ranges.js +2 -0
- package/lib-esm/types/Ranges/Ranges.js.map +1 -0
- package/lib-esm/types/Signals/Signal.js +2 -0
- package/lib-esm/types/Signals/Signal.js.map +1 -0
- package/lib-esm/types/Signals/Signal1D.js +2 -0
- package/lib-esm/types/Signals/Signal1D.js.map +1 -0
- package/lib-esm/types/Signals/Signal2D.js +2 -0
- package/lib-esm/types/Signals/Signal2D.js.map +1 -0
- package/lib-esm/types/Zones/Zone.js +2 -0
- package/lib-esm/types/Zones/Zone.js.map +1 -0
- package/lib-esm/types/Zones/Zones.js +2 -0
- package/lib-esm/types/Zones/Zones.js.map +1 -0
- package/lib-esm/types/common/MapOptions.js +2 -0
- package/lib-esm/types/common/MapOptions.js.map +1 -0
- package/lib-esm/utilities/checkData2DFid.js +6 -0
- package/lib-esm/utilities/checkData2DFid.js.map +1 -0
- package/lib-esm/utilities/cloneData1D.js +5 -0
- package/lib-esm/utilities/cloneData1D.js.map +1 -0
- package/lib-esm/utilities/cloneData2D.js +24 -0
- package/lib-esm/utilities/cloneData2D.js.map +1 -0
- package/lib-esm/utilities/getSum.js +20 -0
- package/lib-esm/utilities/getSum.js.map +1 -0
- package/lib-esm/xyz/quadrature.js +50 -0
- package/lib-esm/xyz/quadrature.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/digitalFilter.js +16 -0
- package/lib-esm/xyz/util/fft2d/digitalFilter.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js +50 -0
- package/lib-esm/xyz/util/fft2d/fftDirectDimension.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js +64 -0
- package/lib-esm/xyz/util/fft2d/fftIndirectDimension.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js +15 -0
- package/lib-esm/xyz/util/fft2d/removeDCOffset.js.map +1 -0
- package/lib-esm/xyz/util/fft2d/zeroFilling.js +25 -0
- package/lib-esm/xyz/util/fft2d/zeroFilling.js.map +1 -0
- package/lib-esm/xyz/util/padData.js +7 -4
- package/lib-esm/xyz/util/padData.js.map +1 -1
- package/lib-esm/xyz/xyzAutoSignalsPicking.js.map +1 -1
- package/lib-esm/xyz/xyzAutoZonesPicking.js.map +1 -1
- package/lib-esm/xyz/xyzBidimensionalFFT.js +75 -0
- package/lib-esm/xyz/xyzBidimensionalFFT.js.map +1 -0
- package/lib-esm/xyz/xyzJResAnalyzer.js +34 -26
- package/lib-esm/xyz/xyzJResAnalyzer.js.map +1 -1
- package/package.json +8 -5
- package/src/apodization/apodization.ts +19 -6
- package/src/apodization/applyWindow.ts +0 -1
- package/src/apodization/compose.ts +1 -0
- package/src/apodization/getFunction.ts +3 -0
- package/src/apodization/shapes/WindowFunctions.ts +7 -1
- package/src/apodization/shapes/sineBell.ts +41 -0
- package/src/apodization/utils/getData.ts +0 -1
- package/src/constants/SignalsKinds.ts +37 -0
- package/src/datum/ExclusionZone.ts +5 -0
- package/src/datum/Filters.ts +53 -0
- package/src/datum/FiltersManager.ts +229 -0
- package/src/datum/MatrixFilter.ts +58 -0
- package/src/datum/MatrixOptions.ts +25 -0
- package/src/datum/data1d/Entry1D.ts +18 -0
- package/src/datum/data1d/filter1d/apodization/apodization.ts +53 -0
- package/src/datum/data1d/filter1d/apodization/apodizationFilter.ts +54 -0
- package/src/datum/data1d/filter1d/baselineCorrection.ts +83 -0
- package/src/datum/data1d/filter1d/digitalFilter.ts +66 -0
- package/src/datum/data1d/filter1d/equallySpaced.ts +66 -0
- package/src/datum/data1d/filter1d/exclusionZones.ts +34 -0
- package/src/datum/data1d/filter1d/fft.ts +143 -0
- package/src/datum/data1d/filter1d/phaseCorrection.ts +127 -0
- package/src/datum/data1d/filter1d/shiftX.ts +37 -0
- package/src/datum/data1d/filter1d/signalProcessing.ts +79 -0
- package/src/datum/data1d/filter1d/utils/padDataToNextPowerOfTwo.ts +49 -0
- package/src/datum/data1d/filter1d/zeroFilling.ts +93 -0
- package/src/datum/data1d/utils/RangeUtilities.ts +102 -0
- package/src/datum/data1d/utils/checkIntegralKind.ts +11 -0
- package/src/datum/data1d/utils/checkRangeKind.ts +8 -0
- package/src/datum/data1d/utils/getShiftX.ts +10 -0
- package/src/datum/data1d/utils/getSpectrumErrorValue.ts +6 -0
- package/src/datum/data1d/utils/mapIntegrals.ts +52 -0
- package/src/datum/data1d/utils/mapPeaks.ts +62 -0
- package/src/datum/data1d/utils/mapRanges.ts +107 -0
- package/src/datum/data1d/utils/mapValues.ts +18 -0
- package/src/datum/data1d/utils/updateIntegrals.ts +13 -0
- package/src/datum/data1d/utils/updateIntegralsRelativeValues.ts +36 -0
- package/src/datum/data1d/utils/updatePeaks.ts +10 -0
- package/src/datum/data1d/utils/updateRanges.ts +12 -0
- package/src/datum/data1d/utils/updateRangesRelativeValues.ts +36 -0
- package/src/datum/data2d/Entry2D.ts +14 -0
- package/src/datum/data2d/filter2d/shiftX.ts +37 -0
- package/src/datum/data2d/filter2d/shiftY.ts +36 -0
- package/src/datum/data2d/utils/get2DSpectrumErrorValue.ts +18 -0
- package/src/datum/data2d/utils/getShift.ts +23 -0
- package/src/datum/data2d/utils/isZoneExists.ts +27 -0
- package/src/datum/data2d/utils/mapZones.ts +80 -0
- package/src/datum/data2d/utils/updateZones.ts +10 -0
- package/src/index.ts +32 -0
- package/src/signal/signalJoinCouplings.ts +2 -2
- package/src/signals/signalsJoin.ts +4 -5
- package/src/signals/signalsToRanges.ts +1 -1
- package/src/signals/signalsToXY.ts +2 -3
- package/src/signals/simulation/simulateXYPeaks.ts +1 -1
- package/src/signals/utils/jAnalyzer.ts +20 -10
- package/src/types/Data1D.ts +5 -0
- package/src/types/Data2D.ts +7 -0
- package/src/types/Filter.ts +12 -0
- package/src/types/Info/Info.ts +15 -0
- package/src/types/Info/Info1D.ts +14 -0
- package/src/types/Info/Info2D.ts +11 -0
- package/src/types/Integral.ts +10 -0
- package/src/types/Integrals.ts +7 -0
- package/src/types/Options/SumOptions.ts +24 -0
- package/src/types/Peaks/BasePeak.ts +3 -0
- package/src/types/Peaks/Peak1D.ts +7 -0
- package/src/types/Peaks/Peak2D.ts +11 -0
- package/src/types/Peaks/Peaks.ts +6 -0
- package/src/types/Ranges/Ranges.ts +18 -0
- package/src/types/Signals/Signal.ts +4 -0
- package/src/types/Signals/Signal1D.ts +8 -0
- package/src/types/Signals/Signal2D.ts +21 -0
- package/src/types/Zones/Zone.ts +15 -0
- package/src/types/Zones/Zones.ts +6 -0
- package/src/types/common/MapOptions.ts +6 -0
- package/src/utilities/checkData2DFid.ts +10 -0
- package/src/utilities/cloneData1D.ts +6 -0
- package/src/utilities/cloneData2D.ts +27 -0
- package/src/utilities/getSum.ts +23 -0
- package/src/xyz/quadrature.ts +68 -0
- package/src/xyz/util/fft2d/digitalFilter.ts +24 -0
- package/src/xyz/util/fft2d/fftDirectDimension.ts +111 -0
- package/src/xyz/util/fft2d/fftIndirectDimension.ts +123 -0
- package/src/xyz/util/fft2d/removeDCOffset.ts +19 -0
- package/src/xyz/util/fft2d/zeroFilling.ts +39 -0
- package/src/xyz/util/padData.ts +13 -7
- package/src/xyz/xyzAutoSignalsPicking.ts +2 -2
- package/src/xyz/xyzAutoZonesPicking.ts +3 -9
- package/src/xyz/xyzBidimensionalFFT.ts +122 -0
- package/src/xyz/xyzJResAnalyzer.ts +51 -42
- package/lib/prediction/utils/flatGroupedDiaIDs.d.ts +0 -2
- package/lib/prediction/utils/flatGroupedDiaIDs.js +0 -14
- package/lib/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
- package/lib/xyz/Data2D.d.ts +0 -7
- package/lib-esm/prediction/utils/flatGroupedDiaIDs.js +0 -10
- package/lib-esm/prediction/utils/flatGroupedDiaIDs.js.map +0 -1
- package/src/assignment/utils/getAssignment/data/correlations.js +0 -713
- package/src/assignment/utils/getAssignment/data/predictions.js +0 -34
- package/src/nmr-parser.d.ts +0 -17
- package/src/prediction/utils/flatGroupedDiaIDs.ts +0 -11
- package/src/xyz/Data2D.ts +0 -7
- /package/lib/{xyz → types}/Data2D.js +0 -0
- /package/lib-esm/{xyz → types}/Data2D.js +0 -0
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import { Data1D } from '../../types/Data1D';
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integrals: Integrals;
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info: Info1D;
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{"version":3,"file":"Entry1D.js","sourceRoot":"","sources":["../../../src/datum/data1d/Entry1D.ts"],"names":[],"mappings":""}
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import { Data1D } from '../../../../types/Data1D';
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import { FilterDomainUpdateRules } from '../../../FiltersManager';
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import { Entry1D } from '../../Entry1D';
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export interface ApodizationOptions {
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lineBroadening: number;
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lineBroadeningCenter: number;
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}
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type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
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info: Partial<Info1D>;
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data: Data1D;
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export declare function apply(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): void;
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export declare function isApplicable(datum1D: Entry1DApodizationFilter): datum1D is Entry1DApodizationFilter & {
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data: Required<Data1D>;
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export declare function reduce(previousValue: any, newValue: any): {
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exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
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const apodizationFilter_1 = require("./apodizationFilter");
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exports.id = 'apodization';
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exports.name = 'Apodization';
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exports.DOMAIN_UPDATE_RULES = {
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updateYDomain: false,
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function apply(datum1D, options) {
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throw new Error('apodization not applicable on this data');
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}
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const newData = (0, apodizationFilter_1.apodizationFilter)(datum1D, options);
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...datum1D.data,
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exports.apply = apply;
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function isApplicable(datum1D) {
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}
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exports.isApplicable = isApplicable;
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function reduce(previousValue, newValue) {
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return {
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reduce: newValue,
|
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};
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}
|
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exports.reduce = reduce;
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//# sourceMappingURL=apodization.js.map
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1
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{"version":3,"file":"apodization.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodization.ts"],"names":[],"mappings":";;;AAKA,2DAAwD;AAE3C,QAAA,EAAE,GAAG,aAAa,CAAC;AACnB,QAAA,IAAI,GAAG,aAAa,CAAC;AACrB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,KAAK;CACrB,CAAC;AAaF,SAAgB,KAAK,CACnB,OAAiC,EACjC,OAA2B;IAE3B,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,yCAAyC,CAAC,CAAC;KAC5D;IACD,MAAM,OAAO,GAAG,IAAA,qCAAiB,EAAC,OAAO,EAAE,OAAO,CAAC,CAAC;IAEpD,OAAO,CAAC,IAAI,GAAG;QACb,GAAG,OAAO,CAAC,IAAI;QACf,EAAE,EAAE,OAAO,CAAC,EAAkB;QAC9B,EAAE,EAAE,OAAO,CAAC,EAAkB;KAC/B,CAAC;AACJ,CAAC;AAdD,sBAcC;AACD,SAAgB,YAAY,CAC1B,OAAiC;IAEjC,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AALD,wBAKC"}
|
|
@@ -0,0 +1,14 @@
|
|
|
1
|
+
import { Data1D } from '../../../../types/Data1D';
|
|
2
|
+
import { Info1D } from '../../../../types/Info/Info1D';
|
|
3
|
+
import { Entry1D } from '../../Entry1D';
|
|
4
|
+
import { ApodizationOptions } from './apodization';
|
|
5
|
+
type Entry1DApodizationFilter = Partial<Omit<Entry1D, 'info'>> & {
|
|
6
|
+
info: Partial<Info1D>;
|
|
7
|
+
data: Required<Data1D>;
|
|
8
|
+
};
|
|
9
|
+
export declare function apodizationFilter(datum1D: Entry1DApodizationFilter, options: ApodizationOptions): {
|
|
10
|
+
windowData: Float64Array;
|
|
11
|
+
re: import("cheminfo-types").DoubleArray;
|
|
12
|
+
im: import("cheminfo-types").DoubleArray;
|
|
13
|
+
};
|
|
14
|
+
export {};
|
|
@@ -0,0 +1,37 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.apodizationFilter = void 0;
|
|
4
|
+
const apodization_1 = require("../../../../apodization/apodization");
|
|
5
|
+
function apodizationFilter(datum1D, options) {
|
|
6
|
+
const { lineBroadening, gaussBroadening, lineBroadeningCenter } = options;
|
|
7
|
+
const grpdly = datum1D.info?.digitalFilter || 0;
|
|
8
|
+
const pointsToShift = grpdly > 0 ? Math.floor(grpdly) : 0;
|
|
9
|
+
const re = datum1D.data.re;
|
|
10
|
+
const im = datum1D.data.im;
|
|
11
|
+
const t = datum1D.data.x;
|
|
12
|
+
const length = re.length;
|
|
13
|
+
const dw = (t[length - 1] - t[0]) / (length - 1); //REPLACE CONSTANT with calculated value... : for this we need AQ or DW to set it right...
|
|
14
|
+
return (0, apodization_1.apodization)({ re, im }, {
|
|
15
|
+
pointsToShift,
|
|
16
|
+
compose: {
|
|
17
|
+
length,
|
|
18
|
+
shapes: [
|
|
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|
+
{
|
|
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|
+
start: 0,
|
|
21
|
+
shape: {
|
|
22
|
+
kind: 'lorentzToGauss',
|
|
23
|
+
options: {
|
|
24
|
+
length,
|
|
25
|
+
dw,
|
|
26
|
+
exponentialHz: gaussBroadening > 0 ? lineBroadening : -lineBroadening,
|
|
27
|
+
gaussianHz: gaussBroadening,
|
|
28
|
+
center: lineBroadeningCenter,
|
|
29
|
+
},
|
|
30
|
+
},
|
|
31
|
+
},
|
|
32
|
+
],
|
|
33
|
+
},
|
|
34
|
+
});
|
|
35
|
+
}
|
|
36
|
+
exports.apodizationFilter = apodizationFilter;
|
|
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|
+
//# sourceMappingURL=apodizationFilter.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"apodizationFilter.js","sourceRoot":"","sources":["../../../../../src/datum/data1d/filter1d/apodization/apodizationFilter.ts"],"names":[],"mappings":";;;AAAA,qEAAkE;AAYlE,SAAgB,iBAAiB,CAC/B,OAAiC,EACjC,OAA2B;IAE3B,MAAM,EAAE,cAAc,EAAE,eAAe,EAAE,oBAAoB,EAAE,GAAG,OAAO,CAAC;IAE1E,MAAM,MAAM,GAAG,OAAO,CAAC,IAAI,EAAE,aAAa,IAAI,CAAC,CAAC;IAChD,MAAM,aAAa,GAAG,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;IAE1D,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC,EAAE,CAAC;IAC3B,MAAM,CAAC,GAAG,OAAO,CAAC,IAAI,CAAC,CAAC,CAAC;IAEzB,MAAM,MAAM,GAAG,EAAE,CAAC,MAAM,CAAC;IACzB,MAAM,EAAE,GAAG,CAAC,CAAC,CAAC,MAAM,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,CAAC,MAAM,GAAG,CAAC,CAAC,CAAC,CAAC,0FAA0F;IAE5I,OAAO,IAAA,yBAAW,EAChB,EAAE,EAAE,EAAE,EAAE,EAAE,EACV;QACE,aAAa;QACb,OAAO,EAAE;YACP,MAAM;YACN,MAAM,EAAE;gBACN;oBACE,KAAK,EAAE,CAAC;oBACR,KAAK,EAAE;wBACL,IAAI,EAAE,gBAAgB;wBACtB,OAAO,EAAE;4BACP,MAAM;4BACN,EAAE;4BACF,aAAa,EACX,eAAe,GAAG,CAAC,CAAC,CAAC,CAAC,cAAc,CAAC,CAAC,CAAC,CAAC,cAAc;4BACxD,UAAU,EAAE,eAAe;4BAC3B,MAAM,EAAE,oBAAoB;yBAC7B;qBACF;iBACF;aACF;SACF;KACF,CACF,CAAC;AACJ,CAAC;AAzCD,8CAyCC"}
|
|
@@ -0,0 +1,32 @@
|
|
|
1
|
+
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
2
|
+
import { Entry1D } from '../Entry1D';
|
|
3
|
+
export declare const id = "baselineCorrection";
|
|
4
|
+
export declare const name = "Baseline correction";
|
|
5
|
+
export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
|
|
6
|
+
export type BaselineAlgorithms = 'airpls' | 'polynomial';
|
|
7
|
+
export interface PolynomialOptions {
|
|
8
|
+
zones: Array<{
|
|
9
|
+
from: number;
|
|
10
|
+
to: number;
|
|
11
|
+
id: string;
|
|
12
|
+
}>;
|
|
13
|
+
algorithm: 'polynomial';
|
|
14
|
+
degree: number;
|
|
15
|
+
}
|
|
16
|
+
export interface AirplsOptions {
|
|
17
|
+
zones: Array<{
|
|
18
|
+
from: number;
|
|
19
|
+
to: number;
|
|
20
|
+
id: string;
|
|
21
|
+
}>;
|
|
22
|
+
algorithm: 'airpls';
|
|
23
|
+
maxIterations: number;
|
|
24
|
+
tolerance: number;
|
|
25
|
+
}
|
|
26
|
+
export type BaselineCorrectionOptions = PolynomialOptions | AirplsOptions;
|
|
27
|
+
export declare function apply(datum1D: Entry1D, options: BaselineCorrectionOptions): void;
|
|
28
|
+
export declare function isApplicable(datum1D: Entry1D): boolean;
|
|
29
|
+
export declare function reduce(previousValue: BaselineCorrectionOptions, newValue: BaselineCorrectionOptions): {
|
|
30
|
+
once: boolean;
|
|
31
|
+
reduce: BaselineCorrectionOptions;
|
|
32
|
+
};
|
|
@@ -0,0 +1,61 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
3
|
+
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
4
|
+
};
|
|
5
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
|
+
exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
|
|
7
|
+
const ml_airpls_1 = __importDefault(require("ml-airpls"));
|
|
8
|
+
const ml_baseline_correction_regression_1 = __importDefault(require("ml-baseline-correction-regression"));
|
|
9
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
10
|
+
exports.id = 'baselineCorrection';
|
|
11
|
+
exports.name = 'Baseline correction';
|
|
12
|
+
exports.DOMAIN_UPDATE_RULES = {
|
|
13
|
+
updateXDomain: false,
|
|
14
|
+
updateYDomain: true,
|
|
15
|
+
};
|
|
16
|
+
function apply(datum1D, options) {
|
|
17
|
+
if (!isApplicable(datum1D)) {
|
|
18
|
+
throw new Error('baselineCorrection not applicable on this data');
|
|
19
|
+
}
|
|
20
|
+
const { algorithm } = options;
|
|
21
|
+
let { x, re } = datum1D.data;
|
|
22
|
+
let corrected;
|
|
23
|
+
switch (algorithm) {
|
|
24
|
+
case 'airpls':
|
|
25
|
+
corrected = (0, ml_airpls_1.default)(x, re, options).corrected;
|
|
26
|
+
break;
|
|
27
|
+
case 'polynomial':
|
|
28
|
+
{
|
|
29
|
+
const { degree, zones } = options;
|
|
30
|
+
let reduced = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { numberOfPoints: 4096, zones });
|
|
31
|
+
let result = (0, ml_baseline_correction_regression_1.default)(reduced.x, reduced.y, {
|
|
32
|
+
regressionOptions: degree,
|
|
33
|
+
});
|
|
34
|
+
let { regression } = result;
|
|
35
|
+
corrected = new Float64Array(x.length);
|
|
36
|
+
for (let i = 0; i < re.length; i++) {
|
|
37
|
+
corrected[i] = re[i] - regression.predict(x[i]);
|
|
38
|
+
}
|
|
39
|
+
}
|
|
40
|
+
break;
|
|
41
|
+
default:
|
|
42
|
+
// eslint-disable-next-line @typescript-eslint/restrict-template-expressions
|
|
43
|
+
throw new Error(`baselineCorrection: algorithm unknown: ${algorithm}`);
|
|
44
|
+
}
|
|
45
|
+
Object.assign(datum1D.data, { re: corrected });
|
|
46
|
+
}
|
|
47
|
+
exports.apply = apply;
|
|
48
|
+
function isApplicable(datum1D) {
|
|
49
|
+
if (!datum1D.info.isFid)
|
|
50
|
+
return true;
|
|
51
|
+
return false;
|
|
52
|
+
}
|
|
53
|
+
exports.isApplicable = isApplicable;
|
|
54
|
+
function reduce(previousValue, newValue) {
|
|
55
|
+
return {
|
|
56
|
+
once: true,
|
|
57
|
+
reduce: newValue,
|
|
58
|
+
};
|
|
59
|
+
}
|
|
60
|
+
exports.reduce = reduce;
|
|
61
|
+
//# sourceMappingURL=baselineCorrection.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"baselineCorrection.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/baselineCorrection.ts"],"names":[],"mappings":";;;;;;AAAA,0DAA+B;AAC/B,0GAAmE;AACnE,iEAAwD;AAK3C,QAAA,EAAE,GAAG,oBAAoB,CAAC;AAC1B,QAAA,IAAI,GAAG,qBAAqB,CAAC;AAC7B,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,IAAI;CACpB,CAAC;AAmBF,SAAgB,KAAK,CAAC,OAAgB,EAAE,OAAkC;IACxE,IAAI,CAAC,YAAY,CAAC,OAAO,CAAC,EAAE;QAC1B,MAAM,IAAI,KAAK,CAAC,gDAAgD,CAAC,CAAC;KACnE;IACD,MAAM,EAAE,SAAS,EAAE,GAAG,OAAO,CAAC;IAC9B,IAAI,EAAE,CAAC,EAAE,EAAE,EAAE,GAAG,OAAO,CAAC,IAAI,CAAC;IAE7B,IAAI,SAAS,CAAC;IACd,QAAQ,SAAS,EAAE;QACjB,KAAK,QAAQ;YACX,SAAS,GAAG,IAAA,mBAAM,EAAC,CAAC,EAAE,EAAE,EAAE,OAAO,CAAC,CAAC,SAAS,CAAC;YAC7C,MAAM;QACR,KAAK,YAAY;YACf;gBACE,MAAM,EAAE,MAAM,EAAE,KAAK,EAAE,GAAG,OAAO,CAAC;gBAClC,IAAI,OAAO,GAAG,IAAA,uCAAe,EAC3B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,cAAc,EAAE,IAAI,EAAE,KAAK,EAAE,CAChC,CAAC;gBACF,IAAI,MAAM,GAAG,IAAA,2CAAkB,EAAC,OAAO,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC,EAAE;oBACpD,iBAAiB,EAAE,MAAM;iBAC1B,CAAC,CAAC;gBACH,IAAI,EAAE,UAAU,EAAE,GAAG,MAAM,CAAC;gBAC5B,SAAS,GAAG,IAAI,YAAY,CAAC,CAAC,CAAC,MAAM,CAAC,CAAC;gBACvC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,EAAE,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;oBAClC,SAAS,CAAC,CAAC,CAAC,GAAG,EAAE,CAAC,CAAC,CAAC,GAAG,UAAU,CAAC,OAAO,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC;iBACjD;aACF;YAED,MAAM;QACR;YACE,4EAA4E;YAC5E,MAAM,IAAI,KAAK,CAAC,0CAA0C,SAAS,EAAE,CAAC,CAAC;KAC1E;IAED,MAAM,CAAC,MAAM,CAAC,OAAO,CAAC,IAAI,EAAE,EAAE,EAAE,EAAE,SAAS,EAAE,CAAC,CAAC;AACjD,CAAC;AApCD,sBAoCC;AAED,SAAgB,YAAY,CAAC,OAAgB;IAC3C,IAAI,CAAC,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACrC,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM,CACpB,aAAwC,EACxC,QAAmC;IAEnC,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,QAAQ;KACjB,CAAC;AACJ,CAAC;AARD,wBAQC"}
|
|
@@ -0,0 +1,23 @@
|
|
|
1
|
+
import { Data1D } from '../../../types/Data1D';
|
|
2
|
+
import { Info1D } from '../../../types/Info/Info1D';
|
|
3
|
+
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
4
|
+
import { Entry1D } from '../Entry1D';
|
|
5
|
+
export declare const id = "digitalFilter";
|
|
6
|
+
export declare const name = "Digital Filter";
|
|
7
|
+
export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
|
|
8
|
+
type Entry1DDigitalFilter = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D, 'data' | 'filters'>> & {
|
|
9
|
+
info: Partial<Info1D>;
|
|
10
|
+
};
|
|
11
|
+
/**
|
|
12
|
+
* Move points from the beginning to the end of FID and performs a first order phase correction
|
|
13
|
+
* @param {Datum1d} datum1d
|
|
14
|
+
*/
|
|
15
|
+
export declare function apply(spectrum: Entry1DDigitalFilter, options?: any): void;
|
|
16
|
+
export declare function isApplicable(datum1D: Entry1DDigitalFilter): datum1D is Entry1DDigitalFilter & {
|
|
17
|
+
data: Required<Data1D>;
|
|
18
|
+
};
|
|
19
|
+
export declare function reduce(): {
|
|
20
|
+
once: boolean;
|
|
21
|
+
reduce: undefined;
|
|
22
|
+
};
|
|
23
|
+
export {};
|
|
@@ -0,0 +1,54 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
|
|
4
|
+
exports.id = 'digitalFilter';
|
|
5
|
+
exports.name = 'Digital Filter';
|
|
6
|
+
exports.DOMAIN_UPDATE_RULES = {
|
|
7
|
+
updateXDomain: true,
|
|
8
|
+
updateYDomain: true,
|
|
9
|
+
};
|
|
10
|
+
/**
|
|
11
|
+
* Move points from the beginning to the end of FID and performs a first order phase correction
|
|
12
|
+
* @param {Datum1d} datum1d
|
|
13
|
+
*/
|
|
14
|
+
function apply(spectrum, options = {}) {
|
|
15
|
+
if (!isApplicable(spectrum)) {
|
|
16
|
+
throw new Error('Digital Filter is not applicable on this data');
|
|
17
|
+
}
|
|
18
|
+
let { digitalFilterValue } = options;
|
|
19
|
+
if (!digitalFilterValue) {
|
|
20
|
+
digitalFilterValue = spectrum.info.digitalFilter || 0;
|
|
21
|
+
const filter = spectrum.filters.find((filter) => filter.name === exports.id);
|
|
22
|
+
if (filter) {
|
|
23
|
+
filter.value = { digitalFilterValue };
|
|
24
|
+
}
|
|
25
|
+
}
|
|
26
|
+
let re = new Float64Array(spectrum.data.re);
|
|
27
|
+
let im = new Float64Array(spectrum.data.im);
|
|
28
|
+
let pointsToShift = Math.floor(digitalFilterValue);
|
|
29
|
+
const skip = 0;
|
|
30
|
+
pointsToShift += 0;
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const newRe = new Float64Array(re.length);
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const newIm = new Float64Array(im.length);
|
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newRe.set(re.slice(pointsToShift));
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newRe.set(re.slice(skip, pointsToShift), re.length - pointsToShift);
|
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newIm.set(im.slice(pointsToShift));
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newIm.set(im.slice(skip, pointsToShift), im.length - pointsToShift);
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spectrum.data.re = newRe;
|
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spectrum.data.im = newIm;
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}
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exports.apply = apply;
|
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|
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function isApplicable(datum1D) {
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if (datum1D.info.isComplex && datum1D.info.isFid)
|
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return true;
|
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return false;
|
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}
|
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exports.isApplicable = isApplicable;
|
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function reduce() {
|
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return {
|
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once: true,
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reduce: undefined,
|
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};
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}
|
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exports.reduce = reduce;
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//# sourceMappingURL=digitalFilter.js.map
|
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@@ -0,0 +1 @@
|
|
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1
|
+
{"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/digitalFilter.ts"],"names":[],"mappings":";;;AAKa,QAAA,EAAE,GAAG,eAAe,CAAC;AACrB,QAAA,IAAI,GAAG,gBAAgB,CAAC;AACxB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,IAAI;IACnB,aAAa,EAAE,IAAI;CACpB,CAAC;AAKF;;;GAGG;AAEH,SAAgB,KAAK,CAAC,QAA8B,EAAE,UAAe,EAAE;IACrE,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,IAAI,EAAE,kBAAkB,EAAE,GAAG,OAAO,CAAC;IAErC,IAAI,CAAC,kBAAkB,EAAE;QACvB,kBAAkB,GAAG,QAAQ,CAAC,IAAI,CAAC,aAAa,IAAI,CAAC,CAAC;QACtD,MAAM,MAAM,GAAG,QAAQ,CAAC,OAAO,CAAC,IAAI,CAAC,CAAC,MAAM,EAAE,EAAE,CAAC,MAAM,CAAC,IAAI,KAAK,UAAE,CAAC,CAAC;QACrE,IAAI,MAAM,EAAE;YACV,MAAM,CAAC,KAAK,GAAG,EAAE,kBAAkB,EAAE,CAAC;SACvC;KACF;IAED,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC5C,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE5C,IAAI,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC;IAEnD,MAAM,IAAI,GAAG,CAAC,CAAC;IACf,aAAa,IAAI,CAAC,CAAC;IAEnB,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;IAC1C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IACpE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,aAAa,CAAC,CAAC,CAAC;IACnC,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,IAAI,EAAE,aAAa,CAAC,EAAE,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,CAAC;IAEpE,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;IACzB,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,KAAK,CAAC;AAC3B,CAAC;AA/BD,sBA+BC;AAED,SAAgB,YAAY,CAC1B,OAA6B;IAE7B,IAAI,OAAO,CAAC,IAAI,CAAC,SAAS,IAAI,OAAO,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IAC9D,OAAO,KAAK,CAAC;AACf,CAAC;AALD,oCAKC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,SAAS;KAClB,CAAC;AACJ,CAAC;AALD,wBAKC"}
|
|
@@ -0,0 +1,31 @@
|
|
|
1
|
+
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
2
|
+
import { Entry1D } from '../Entry1D';
|
|
3
|
+
export declare const id = "equallySpaced";
|
|
4
|
+
export declare const name = "Equally spaced";
|
|
5
|
+
export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
|
|
6
|
+
/**
|
|
7
|
+
* Equally Spaced
|
|
8
|
+
* **
|
|
9
|
+
* Function that returns a Number array of equally spaced numberOfPoints
|
|
10
|
+
* containing a representation of intensities of the spectra arguments x
|
|
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|
+
* and y.
|
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12
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*
|
|
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+
* The options parameter contains an object in the following form:
|
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|
+
* from: starting point
|
|
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|
+
* to: last point
|
|
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|
+
* numberOfPoints: number of points between from and to
|
|
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|
+
* variant: "slot" or "smooth" - smooth is the default option
|
|
18
|
+
*
|
|
19
|
+
* The slot variant consist that each point in the new array is calculated
|
|
20
|
+
* averaging the existing points between the slot that belongs to the current
|
|
21
|
+
* value. The smooth variant is the same but takes the integral of the range
|
|
22
|
+
* of the slot and divide by the step size between two points in the new array.
|
|
23
|
+
*
|
|
24
|
+
* @param {Array<{from:number;to:number}>} options.exclusions
|
|
25
|
+
*/
|
|
26
|
+
export declare function apply(spectrum: Entry1D, options?: any): void;
|
|
27
|
+
export declare function isApplicable(spectrum: Entry1D): boolean;
|
|
28
|
+
export declare function reduce(): {
|
|
29
|
+
once: boolean;
|
|
30
|
+
reduce: null;
|
|
31
|
+
};
|
|
@@ -0,0 +1,59 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
|
|
4
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
5
|
+
exports.id = 'equallySpaced';
|
|
6
|
+
exports.name = 'Equally spaced';
|
|
7
|
+
exports.DOMAIN_UPDATE_RULES = {
|
|
8
|
+
updateXDomain: false,
|
|
9
|
+
updateYDomain: false,
|
|
10
|
+
};
|
|
11
|
+
/**
|
|
12
|
+
* Equally Spaced
|
|
13
|
+
* **
|
|
14
|
+
* Function that returns a Number array of equally spaced numberOfPoints
|
|
15
|
+
* containing a representation of intensities of the spectra arguments x
|
|
16
|
+
* and y.
|
|
17
|
+
*
|
|
18
|
+
* The options parameter contains an object in the following form:
|
|
19
|
+
* from: starting point
|
|
20
|
+
* to: last point
|
|
21
|
+
* numberOfPoints: number of points between from and to
|
|
22
|
+
* variant: "slot" or "smooth" - smooth is the default option
|
|
23
|
+
*
|
|
24
|
+
* The slot variant consist that each point in the new array is calculated
|
|
25
|
+
* averaging the existing points between the slot that belongs to the current
|
|
26
|
+
* value. The smooth variant is the same but takes the integral of the range
|
|
27
|
+
* of the slot and divide by the step size between two points in the new array.
|
|
28
|
+
*
|
|
29
|
+
* @param {Array<{from:number;to:number}>} options.exclusions
|
|
30
|
+
*/
|
|
31
|
+
function apply(spectrum, options = {}) {
|
|
32
|
+
if (!isApplicable(spectrum)) {
|
|
33
|
+
throw new Error('Equally Spaced is not applicable on this data');
|
|
34
|
+
}
|
|
35
|
+
const { from, to, numberOfPoints, exclusions } = options;
|
|
36
|
+
const { x, re, im } = spectrum.data;
|
|
37
|
+
const XREdata = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { from, to, numberOfPoints, exclusions });
|
|
38
|
+
spectrum.data.x = (0, ml_spectra_processing_1.xEnsureFloat64)(XREdata.x);
|
|
39
|
+
spectrum.data.re = (0, ml_spectra_processing_1.xEnsureFloat64)(XREdata.y);
|
|
40
|
+
if (im) {
|
|
41
|
+
const XIMdata = (0, ml_spectra_processing_1.xyEquallySpaced)({ x, y: re }, { from, to, numberOfPoints, exclusions });
|
|
42
|
+
spectrum.data.im = (0, ml_spectra_processing_1.xEnsureFloat64)(XIMdata.y);
|
|
43
|
+
}
|
|
44
|
+
}
|
|
45
|
+
exports.apply = apply;
|
|
46
|
+
function isApplicable(spectrum) {
|
|
47
|
+
if (spectrum.info.isComplex && !spectrum.info.isFid)
|
|
48
|
+
return true;
|
|
49
|
+
return false;
|
|
50
|
+
}
|
|
51
|
+
exports.isApplicable = isApplicable;
|
|
52
|
+
function reduce() {
|
|
53
|
+
return {
|
|
54
|
+
once: false,
|
|
55
|
+
reduce: null,
|
|
56
|
+
};
|
|
57
|
+
}
|
|
58
|
+
exports.reduce = reduce;
|
|
59
|
+
//# sourceMappingURL=equallySpaced.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"equallySpaced.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/equallySpaced.ts"],"names":[],"mappings":";;;AAAA,iEAAwE;AAK3D,QAAA,EAAE,GAAG,eAAe,CAAC;AACrB,QAAA,IAAI,GAAG,gBAAgB,CAAC;AACxB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAEF;;;;;;;;;;;;;;;;;;;GAmBG;AAEH,SAAgB,KAAK,CAAC,QAAiB,EAAE,UAAe,EAAE;IACxD,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,+CAA+C,CAAC,CAAC;KAClE;IACD,MAAM,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,GAAG,OAAO,CAAC;IACzD,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IACpC,MAAM,OAAO,GAAG,IAAA,uCAAe,EAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,CACzC,CAAC;IAEF,QAAQ,CAAC,IAAI,CAAC,CAAC,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;IAC5C,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;IAC7C,IAAI,EAAE,EAAE;QACN,MAAM,OAAO,GAAG,IAAA,uCAAe,EAC7B,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EACZ,EAAE,IAAI,EAAE,EAAE,EAAE,cAAc,EAAE,UAAU,EAAE,CACzC,CAAC;QACF,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,IAAA,sCAAc,EAAC,OAAO,CAAC,CAAC,CAAC,CAAC;KAC9C;AACH,CAAC;AApBD,sBAoBC;AAED,SAAgB,YAAY,CAAC,QAAiB;IAC5C,IAAI,QAAQ,CAAC,IAAI,CAAC,SAAS,IAAI,CAAC,QAAQ,CAAC,IAAI,CAAC,KAAK;QAAE,OAAO,IAAI,CAAC;IACjE,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM;IACpB,OAAO;QACL,IAAI,EAAE,KAAK;QACX,MAAM,EAAE,IAAI;KACb,CAAC;AACJ,CAAC;AALD,wBAKC"}
|
|
@@ -0,0 +1,11 @@
|
|
|
1
|
+
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
2
|
+
import { Entry1D } from '../Entry1D';
|
|
3
|
+
export declare const id = "exclusionZones";
|
|
4
|
+
export declare const name = "Exclusion zones";
|
|
5
|
+
export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
|
|
6
|
+
export declare function apply(spectrum: Entry1D, zones?: never[]): void;
|
|
7
|
+
export declare function isApplicable(spectrum: Entry1D): boolean;
|
|
8
|
+
export declare function reduce(previousValue: any, newValue: any): {
|
|
9
|
+
once: boolean;
|
|
10
|
+
reduce: import("cheminfo-types").FromTo[];
|
|
11
|
+
};
|
|
@@ -0,0 +1,35 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
|
|
4
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
5
|
+
exports.id = 'exclusionZones';
|
|
6
|
+
exports.name = 'Exclusion zones';
|
|
7
|
+
exports.DOMAIN_UPDATE_RULES = {
|
|
8
|
+
updateXDomain: false,
|
|
9
|
+
updateYDomain: false,
|
|
10
|
+
};
|
|
11
|
+
function apply(spectrum, zones = []) {
|
|
12
|
+
if (!isApplicable(spectrum)) {
|
|
13
|
+
throw new Error('Exclusion Zones filter not applicable on this data');
|
|
14
|
+
}
|
|
15
|
+
const { x, re, im } = spectrum.data;
|
|
16
|
+
spectrum.data.re = Float64Array.from((0, ml_spectra_processing_1.xySetYValue)({ x, y: re }, { zones }).y);
|
|
17
|
+
spectrum.data.im = im
|
|
18
|
+
? Float64Array.from((0, ml_spectra_processing_1.xySetYValue)({ x, y: re }, { zones }).y)
|
|
19
|
+
: im;
|
|
20
|
+
}
|
|
21
|
+
exports.apply = apply;
|
|
22
|
+
function isApplicable(spectrum) {
|
|
23
|
+
if (spectrum.info.isFt)
|
|
24
|
+
return true;
|
|
25
|
+
return false;
|
|
26
|
+
}
|
|
27
|
+
exports.isApplicable = isApplicable;
|
|
28
|
+
function reduce(previousValue, newValue) {
|
|
29
|
+
return {
|
|
30
|
+
once: true,
|
|
31
|
+
reduce: (0, ml_spectra_processing_1.zonesNormalize)(previousValue.concat(newValue)),
|
|
32
|
+
};
|
|
33
|
+
}
|
|
34
|
+
exports.reduce = reduce;
|
|
35
|
+
//# sourceMappingURL=exclusionZones.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"exclusionZones.js","sourceRoot":"","sources":["../../../../src/datum/data1d/filter1d/exclusionZones.ts"],"names":[],"mappings":";;;AAAA,iEAAoE;AAKvD,QAAA,EAAE,GAAG,gBAAgB,CAAC;AACtB,QAAA,IAAI,GAAG,iBAAiB,CAAC;AACzB,QAAA,mBAAmB,GAAsC;IACpE,aAAa,EAAE,KAAK;IACpB,aAAa,EAAE,KAAK;CACrB,CAAC;AAEF,SAAgB,KAAK,CAAC,QAAiB,EAAE,KAAK,GAAG,EAAE;IACjD,IAAI,CAAC,YAAY,CAAC,QAAQ,CAAC,EAAE;QAC3B,MAAM,IAAI,KAAK,CAAC,oDAAoD,CAAC,CAAC;KACvE;IACD,MAAM,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,QAAQ,CAAC,IAAI,CAAC;IACpC,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,YAAY,CAAC,IAAI,CAAC,IAAA,mCAAW,EAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;IAC7E,QAAQ,CAAC,IAAI,CAAC,EAAE,GAAG,EAAE;QACnB,CAAC,CAAC,YAAY,CAAC,IAAI,CAAC,IAAA,mCAAW,EAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC,CAAC,CAAC,CAAC;QAC3D,CAAC,CAAC,EAAE,CAAC;AACT,CAAC;AATD,sBASC;AAED,SAAgB,YAAY,CAAC,QAAiB;IAC5C,IAAI,QAAQ,CAAC,IAAI,CAAC,IAAI;QAAE,OAAO,IAAI,CAAC;IACpC,OAAO,KAAK,CAAC;AACf,CAAC;AAHD,oCAGC;AAED,SAAgB,MAAM,CAAC,aAAkB,EAAE,QAAa;IACtD,OAAO;QACL,IAAI,EAAE,IAAI;QACV,MAAM,EAAE,IAAA,sCAAc,EAAC,aAAa,CAAC,MAAM,CAAC,QAAQ,CAAC,CAAC;KACvD,CAAC;AACJ,CAAC;AALD,wBAKC"}
|
|
@@ -0,0 +1,19 @@
|
|
|
1
|
+
import { Data1D } from '../../../types/Data1D';
|
|
2
|
+
import { Info1D } from '../../../types/Info/Info1D';
|
|
3
|
+
import { FilterDomainUpdateRules } from '../../FiltersManager';
|
|
4
|
+
import { Entry1D } from '../Entry1D';
|
|
5
|
+
export declare const id = "fft";
|
|
6
|
+
export declare const name = "FFT";
|
|
7
|
+
export declare const DOMAIN_UPDATE_RULES: Readonly<FilterDomainUpdateRules>;
|
|
8
|
+
type Entry1DFt = Partial<Omit<Entry1D, 'info'>> & Required<Pick<Entry1D, 'data' | 'filters'>> & {
|
|
9
|
+
info: Partial<Info1D>;
|
|
10
|
+
};
|
|
11
|
+
export declare function apply(datum1D: Entry1DFt): void;
|
|
12
|
+
export declare function isApplicable(datum1D: Entry1DFt): datum1D is Entry1DFt & {
|
|
13
|
+
data: Required<Data1D>;
|
|
14
|
+
};
|
|
15
|
+
export declare function reduce(): {
|
|
16
|
+
once: boolean;
|
|
17
|
+
reduce: undefined;
|
|
18
|
+
};
|
|
19
|
+
export {};
|
|
@@ -0,0 +1,93 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.reduce = exports.isApplicable = exports.apply = exports.DOMAIN_UPDATE_RULES = exports.name = exports.id = void 0;
|
|
4
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
5
|
+
const padDataToNextPowerOfTwo_1 = require("./utils/padDataToNextPowerOfTwo");
|
|
6
|
+
exports.id = 'fft';
|
|
7
|
+
exports.name = 'FFT';
|
|
8
|
+
exports.DOMAIN_UPDATE_RULES = {
|
|
9
|
+
updateXDomain: true,
|
|
10
|
+
updateYDomain: true,
|
|
11
|
+
};
|
|
12
|
+
function apply(datum1D) {
|
|
13
|
+
if (!isApplicable(datum1D)) {
|
|
14
|
+
throw new Error('fft not applicable on this data');
|
|
15
|
+
}
|
|
16
|
+
checkSameLength(datum1D);
|
|
17
|
+
let digitalFilterApplied = datum1D.filters.some((e) => e.name === 'digitalFilter' && e.flag);
|
|
18
|
+
const { info: { aqMod }, } = datum1D;
|
|
19
|
+
if (aqMod === 1) {
|
|
20
|
+
removeDCOffset(datum1D, digitalFilterApplied);
|
|
21
|
+
}
|
|
22
|
+
if (!isPowerOfTwo(datum1D.data.x.length)) {
|
|
23
|
+
(0, padDataToNextPowerOfTwo_1.padDataToNextPowerOfTwo)(datum1D, digitalFilterApplied);
|
|
24
|
+
}
|
|
25
|
+
const { data, info } = datum1D;
|
|
26
|
+
Object.assign(data, (0, ml_spectra_processing_1.reimFFT)({
|
|
27
|
+
re: data.re,
|
|
28
|
+
im: data.im,
|
|
29
|
+
}, { applyZeroShift: true }));
|
|
30
|
+
if (digitalFilterApplied) {
|
|
31
|
+
let { digitalFilter = 0 } = info;
|
|
32
|
+
let ph1 = (digitalFilter - Math.floor(digitalFilter)) * Math.PI * 2;
|
|
33
|
+
Object.assign(data, (0, ml_spectra_processing_1.reimPhaseCorrection)(data, 0, -ph1, { reverse: true }));
|
|
34
|
+
}
|
|
35
|
+
datum1D.data.x = generateXAxis(datum1D);
|
|
36
|
+
datum1D.info = { ...datum1D.info, isFid: false, isFt: true };
|
|
37
|
+
}
|
|
38
|
+
exports.apply = apply;
|
|
39
|
+
function isApplicable(datum1D) {
|
|
40
|
+
if (datum1D.info.isComplex && datum1D.info.isFid)
|
|
41
|
+
return true;
|
|
42
|
+
return false;
|
|
43
|
+
}
|
|
44
|
+
exports.isApplicable = isApplicable;
|
|
45
|
+
function reduce() {
|
|
46
|
+
return {
|
|
47
|
+
once: true,
|
|
48
|
+
reduce: undefined,
|
|
49
|
+
};
|
|
50
|
+
}
|
|
51
|
+
exports.reduce = reduce;
|
|
52
|
+
function generateXAxis(datum1D) {
|
|
53
|
+
const info = datum1D.info;
|
|
54
|
+
const baseFrequency = Number(info.baseFrequency);
|
|
55
|
+
const frequencyOffset = Number(info.frequencyOffset);
|
|
56
|
+
const spectralWidth = Number(info.spectralWidth);
|
|
57
|
+
const offset = frequencyOffset / baseFrequency;
|
|
58
|
+
let spectralHalfWidth = 0.5 * spectralWidth;
|
|
59
|
+
let nbPoints = datum1D.data.x.length;
|
|
60
|
+
let firstPoint = offset - spectralHalfWidth;
|
|
61
|
+
let dx = spectralWidth / (nbPoints - 1);
|
|
62
|
+
const xAxis = new Float64Array(nbPoints);
|
|
63
|
+
for (let i = 0; i < nbPoints; i++) {
|
|
64
|
+
xAxis[i] = firstPoint;
|
|
65
|
+
firstPoint += dx;
|
|
66
|
+
}
|
|
67
|
+
return xAxis;
|
|
68
|
+
}
|
|
69
|
+
function isPowerOfTwo(n) {
|
|
70
|
+
return n !== 0 && (n & (n - 1)) === 0;
|
|
71
|
+
}
|
|
72
|
+
function removeDCOffset(spectrum, digitalFilterApplied) {
|
|
73
|
+
let { digitalFilter = 0 } = digitalFilterApplied && spectrum.info ? spectrum.info : {};
|
|
74
|
+
const data = spectrum.data;
|
|
75
|
+
const nbPoints = data.re.length;
|
|
76
|
+
const newRe = new Float64Array(data.re);
|
|
77
|
+
const newIm = new Float64Array(data.im);
|
|
78
|
+
const averageRe = (0, ml_spectra_processing_1.xMean)(data.re.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilter));
|
|
79
|
+
const averageIm = (0, ml_spectra_processing_1.xMean)(data.im.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilter));
|
|
80
|
+
for (let i = digitalFilterApplied ? 0 : digitalFilter; i < nbPoints - digitalFilter; i++) {
|
|
81
|
+
newRe[i] -= averageRe;
|
|
82
|
+
newIm[i] -= averageIm;
|
|
83
|
+
}
|
|
84
|
+
Object.assign(spectrum.data, { re: newRe, im: newIm });
|
|
85
|
+
return spectrum;
|
|
86
|
+
}
|
|
87
|
+
function checkSameLength(spectrum) {
|
|
88
|
+
const { data } = spectrum;
|
|
89
|
+
if (data.x.length !== data.re.length || data.x.length !== data.im.length) {
|
|
90
|
+
throw new Error('The length of data should be equal');
|
|
91
|
+
}
|
|
92
|
+
}
|
|
93
|
+
//# sourceMappingURL=fft.js.map
|