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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{"version":3,"file":"cloneData2D.js","sourceRoot":"","sources":["../../src/utilities/cloneData2D.ts"],"names":[],"mappings":";;;AAEA,SAAgB,WAAW,CAAC,IAAY;IACtC,MAAM,OAAO,GAAQ,EAAE,CAAC;IAExB,IAAI,UAAU,CAAC,IAAI,CAAC,EAAE;QACpB,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAqB,CAAC,CAAC,CAAC;SACzD;KACF;SAAM;QACL,KAAK,MAAM,GAAG,IAAI,IAAI,EAAE;YACtB,YAAY,CAAC,OAAO,EAAE,GAAG,EAAE,IAAI,CAAC,GAAsB,CAAC,CAAC,CAAC;SAC1D;KACF;IACD,OAAO,OAAO,CAAC;AACjB,CAAC;AAbD,kCAaC;AAED,SAAS,UAAU,CAAC,IAAY;IAC9B,OAAO,IAAI,IAAI,IAAI,CAAC;AACtB,CAAC;AAED,SAAS,YAAY,CAAC,OAAY,EAAE,GAAW,EAAE,IAAoB;IACnE,IAAI,IAAI,EAAE;QACR,MAAM,EAAE,CAAC,EAAE,GAAG,KAAK,EAAE,GAAG,IAAI,CAAC;QAC7B,OAAO,CAAC,GAAG,CAAC,GAAG,EAAE,CAAC,EAAE,CAAC,CAAC,KAAK,EAAE,EAAE,GAAG,KAAK,EAAE,CAAC;KAC3C;AACH,CAAC"}
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/**
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{"version":3,"file":"getSum.js","sourceRoot":"","sources":["../../src/utilities/getSum.ts"],"names":[],"mappings":";AAAA;;;;;;GAMG;;;AAEH,SAAgB,MAAM,CACpB,MAAc,EACd,GAAe,EACf,QAA2C,IAAI;IAE/C,IAAI,GAAG,GAAG,CAAC,CAAC;IACZ,KAAK,MAAM,OAAO,IAAI,MAAM,EAAE;QAC5B,IAAI,KAAK,EAAE,CAAC,OAAO,CAAC,EAAE;YACpB,MAAM,KAAK,GAAG,OAAO,CAAC,GAAG,CAAC,CAAC;YAC3B,IAAI,CAAC,KAAK,IAAI,KAAK,CAAC,KAAK,CAAC;gBAAE,SAAS;YACrC,GAAG,IAAI,IAAI,CAAC,GAAG,CAAC,KAAK,CAAC,CAAC;SACxB;KACF;IACD,OAAO,GAAG,CAAC;AACb,CAAC;AAdD,wBAcC"}
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return echoQuadrature(data);
|
|
16
|
+
default:
|
|
17
|
+
return {
|
|
18
|
+
re: data.re.z,
|
|
19
|
+
im: data.im.z,
|
|
20
|
+
};
|
|
21
|
+
}
|
|
22
|
+
}
|
|
23
|
+
exports.quadrature = quadrature;
|
|
24
|
+
function echoQuadrature(data) {
|
|
25
|
+
const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
|
|
26
|
+
const newRe = [];
|
|
27
|
+
const newIm = [];
|
|
28
|
+
for (let i = 0; i < reMatrix.length; i += 2) {
|
|
29
|
+
let reCosine = reMatrix[i];
|
|
30
|
+
let imCosine = imMatrix[i];
|
|
31
|
+
let reSine = reMatrix[i + 1];
|
|
32
|
+
let imSine = imMatrix[i + 1];
|
|
33
|
+
newRe.push((0, ml_spectra_processing_1.xSubtract)((0, ml_spectra_processing_1.xMultiply)(imSine, -1), imCosine));
|
|
34
|
+
newRe.push((0, ml_spectra_processing_1.xSubtract)(reSine, reCosine));
|
|
35
|
+
newIm.push((0, ml_spectra_processing_1.xAdd)(reSine, reCosine));
|
|
36
|
+
newIm.push((0, ml_spectra_processing_1.xSubtract)(imSine, imCosine));
|
|
37
|
+
}
|
|
38
|
+
return { re: newRe, im: newIm };
|
|
39
|
+
}
|
|
40
|
+
function shrQuadrature(data) {
|
|
41
|
+
const { re, im } = data;
|
|
42
|
+
return { re: re.z, im: im.z };
|
|
43
|
+
}
|
|
44
|
+
function ttpiQuadrature(data) {
|
|
45
|
+
const newRe = [];
|
|
46
|
+
const newIm = [];
|
|
47
|
+
const { re: { z: reMatrix }, im: { z: imMatrix }, } = data;
|
|
48
|
+
for (let i = 0; i < reMatrix.length; i++) {
|
|
49
|
+
newRe.push(i % 2 ? reMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(reMatrix[i], -1));
|
|
50
|
+
newIm.push(i % 2 ? imMatrix[i].slice() : (0, ml_spectra_processing_1.xMultiply)(imMatrix[i], -1));
|
|
51
|
+
}
|
|
52
|
+
return { re: newRe, im: newIm };
|
|
53
|
+
}
|
|
54
|
+
//# sourceMappingURL=quadrature.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"quadrature.js","sourceRoot":"","sources":["../../src/xyz/quadrature.ts"],"names":[],"mappings":";;;AACA,iEAAmE;AAEnE,gEAAgF;AAEhF,SAAgB,UAAU,CAAC,IAAY,EAAE,OAA2B;IAClE,IAAA,+BAAc,EAAC,IAAI,CAAC,CAAC;IAErB,MAAM,EAAE,MAAM,EAAE,GAAG,OAAO,CAAC;IAE3B,QAAQ,MAAM,EAAE;QACd,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B,KAAK,QAAQ;YACX,OAAO,aAAa,CAAC,IAAI,CAAC,CAAC;QAC7B,KAAK,MAAM;YACT,OAAO,cAAc,CAAC,IAAI,CAAC,CAAC;QAC9B;YACE,OAAO;gBACL,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;gBACb,EAAE,EAAE,IAAI,CAAC,EAAE,CAAC,CAAC;aACd,CAAC;KACL;AACH,CAAC;AAlBD,gCAkBC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IAET,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;QAC3C,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,QAAQ,GAAG,QAAQ,CAAC,CAAC,CAAC,CAAC;QAC3B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAC7B,IAAI,MAAM,GAAG,QAAQ,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC;QAE7B,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE,QAAQ,CAAC,CAAC,CAAC;QACvD,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACxC,KAAK,CAAC,IAAI,CAAC,IAAA,4BAAI,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;QACnC,KAAK,CAAC,IAAI,CAAC,IAAA,iCAAS,EAAC,MAAM,EAAE,QAAQ,CAAC,CAAC,CAAC;KACzC;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AAED,SAAS,aAAa,CAAC,IAAuB;IAC5C,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IACxB,OAAO,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC,EAAE,CAAC;AAChC,CAAC;AAED,SAAS,cAAc,CAAC,IAAuB;IAC7C,MAAM,KAAK,GAAkB,EAAE,CAAC;IAChC,MAAM,KAAK,GAAkB,EAAE,CAAC;IAEhC,MAAM,EACJ,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,EACnB,EAAE,EAAE,EAAE,CAAC,EAAE,QAAQ,EAAE,GACpB,GAAG,IAAI,CAAC;IACT,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;QACxC,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;QACrE,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,QAAQ,CAAC,CAAC,CAAC,CAAC,KAAK,EAAE,CAAC,CAAC,CAAC,IAAA,iCAAS,EAAC,QAAQ,CAAC,CAAC,CAAC,EAAE,CAAC,CAAC,CAAC,CAAC,CAAC;KACtE;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC"}
|
|
@@ -0,0 +1,20 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.digitalFilter = void 0;
|
|
4
|
+
function digitalFilter(data, options) {
|
|
5
|
+
let { digitalFilterValue = 0 } = options;
|
|
6
|
+
let re = new Float64Array(data.re);
|
|
7
|
+
let im = new Float64Array(data.im);
|
|
8
|
+
let pointsToShift = Math.floor(digitalFilterValue);
|
|
9
|
+
const skip = 0;
|
|
10
|
+
pointsToShift += 0;
|
|
11
|
+
const newRe = new Float64Array(re.length);
|
|
12
|
+
const newIm = new Float64Array(im.length);
|
|
13
|
+
newRe.set(re.slice(pointsToShift));
|
|
14
|
+
newRe.set(re.slice(skip, pointsToShift), re.length - pointsToShift);
|
|
15
|
+
newIm.set(im.slice(pointsToShift));
|
|
16
|
+
newIm.set(im.slice(skip, pointsToShift), im.length - pointsToShift);
|
|
17
|
+
return { re: newRe, im: newIm };
|
|
18
|
+
}
|
|
19
|
+
exports.digitalFilter = digitalFilter;
|
|
20
|
+
//# sourceMappingURL=digitalFilter.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"digitalFilter.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/digitalFilter.ts"],"names":[],"mappings":";;;AAEA,SAAgB,aAAa,CAC3B,IAAc,EACd,OAAuC;IAEvC,IAAI,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IACzC,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACnC,IAAI,EAAE,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAEnC,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,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AArBD,sCAqBC"}
|
|
@@ -0,0 +1,24 @@
|
|
|
1
|
+
import { DoubleArray } from 'cheminfo-types';
|
|
2
|
+
import Matrix from 'ml-matrix';
|
|
3
|
+
import { ApodizationFilterOptions } from '../../../apodization/apodization';
|
|
4
|
+
import { ZeroFillingOptions } from './zeroFilling';
|
|
5
|
+
interface PhaseCorrection {
|
|
6
|
+
mode?: string;
|
|
7
|
+
ph0?: number;
|
|
8
|
+
ph1?: number;
|
|
9
|
+
}
|
|
10
|
+
export interface DirectDimensionOptions {
|
|
11
|
+
fnMode?: string;
|
|
12
|
+
digitalFilterValue?: number;
|
|
13
|
+
zeroFilling?: ZeroFillingOptions;
|
|
14
|
+
apodization?: ApodizationFilterOptions;
|
|
15
|
+
phaseCorrection?: PhaseCorrection;
|
|
16
|
+
}
|
|
17
|
+
export declare function fftDirectDimension(data: {
|
|
18
|
+
re: DoubleArray[];
|
|
19
|
+
im: DoubleArray[];
|
|
20
|
+
}, options: DirectDimensionOptions): {
|
|
21
|
+
re: Matrix;
|
|
22
|
+
im: Matrix;
|
|
23
|
+
};
|
|
24
|
+
export {};
|
|
@@ -0,0 +1,57 @@
|
|
|
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.fftDirectDimension = void 0;
|
|
7
|
+
const ml_matrix_1 = __importDefault(require("ml-matrix"));
|
|
8
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
9
|
+
const apodization_1 = require("../../../apodization/apodization");
|
|
10
|
+
const digitalFilter_1 = require("./digitalFilter");
|
|
11
|
+
const removeDCOffset_1 = require("./removeDCOffset");
|
|
12
|
+
const zeroFilling_1 = require("./zeroFilling");
|
|
13
|
+
function fftDirectDimension(data, options) {
|
|
14
|
+
const { re: reData, im: imData } = data;
|
|
15
|
+
const nbRows = reData.length;
|
|
16
|
+
const nbColumns = reData[0].length;
|
|
17
|
+
const { zeroFilling: zeroFillingF2, digitalFilterValue = 0 } = options;
|
|
18
|
+
const { factor: f2Factor = 2 } = zeroFillingF2 || {};
|
|
19
|
+
const nbPointsF2 = zeroFillingF2?.nbPoints || 2 ** Math.round(Math.log2(nbColumns * f2Factor));
|
|
20
|
+
const reFFT = new ml_matrix_1.default(nbRows, nbPointsF2);
|
|
21
|
+
const imFFT = new ml_matrix_1.default(nbRows, nbPointsF2);
|
|
22
|
+
const { apodization: apodizationF2 } = options;
|
|
23
|
+
let { ph0: ph0F2, ph1: ph1F2, mode: pcModeF2 = 'no', } = options?.phaseCorrection || {};
|
|
24
|
+
for (let i = 0; i < nbRows; i++) {
|
|
25
|
+
const newData = (0, digitalFilter_1.digitalFilter)({ re: reData[i], im: imData[i] }, { digitalFilterValue });
|
|
26
|
+
Object.assign(newData, (0, removeDCOffset_1.removeDCOffset)(newData, { digitalFilterValue }));
|
|
27
|
+
if (apodizationF2) {
|
|
28
|
+
const { re: aRe, im: aIm } = (0, apodization_1.apodization)(newData, apodizationF2);
|
|
29
|
+
Object.assign(newData, { re: aRe, im: aIm });
|
|
30
|
+
}
|
|
31
|
+
Object.assign(newData, (0, zeroFilling_1.zeroFilling)(newData, { digitalFilterValue, nbPoints: nbPointsF2 }));
|
|
32
|
+
Object.assign(newData, (0, ml_spectra_processing_1.reimFFT)(newData, { applyZeroShift: true }));
|
|
33
|
+
const dfResidual = (digitalFilterValue - Math.round(digitalFilterValue)) * Math.PI * 2;
|
|
34
|
+
if (dfResidual > 0) {
|
|
35
|
+
Object.assign(newData, (0, ml_spectra_processing_1.reimPhaseCorrection)(newData, 0, -dfResidual));
|
|
36
|
+
}
|
|
37
|
+
if (i === 0 &&
|
|
38
|
+
pcModeF2 === 'pk' &&
|
|
39
|
+
ph0F2 === undefined &&
|
|
40
|
+
ph1F2 === undefined) {
|
|
41
|
+
const phased = (0, ml_spectra_processing_1.reimAutoPhaseCorrection)(newData, { magnitudeMode: false });
|
|
42
|
+
ph0F2 = phased.ph0;
|
|
43
|
+
ph1F2 = phased.ph1;
|
|
44
|
+
}
|
|
45
|
+
if (pcModeF2 === 'pk' && ph0F2 !== undefined && ph1F2 !== undefined) {
|
|
46
|
+
Object.assign(newData, (0, ml_spectra_processing_1.reimPhaseCorrection)(newData, (ph0F2 * Math.PI) / 180, (ph1F2 * Math.PI) / 180));
|
|
47
|
+
}
|
|
48
|
+
reFFT.setRow(i, newData.re);
|
|
49
|
+
imFFT.setRow(i, newData.im);
|
|
50
|
+
}
|
|
51
|
+
return {
|
|
52
|
+
re: reFFT,
|
|
53
|
+
im: imFFT,
|
|
54
|
+
};
|
|
55
|
+
}
|
|
56
|
+
exports.fftDirectDimension = fftDirectDimension;
|
|
57
|
+
//# sourceMappingURL=fftDirectDimension.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"fftDirectDimension.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/fftDirectDimension.ts"],"names":[],"mappings":";;;;;;AACA,0DAA+B;AAC/B,iEAI+B;AAE/B,kEAG0C;AAE1C,mDAAgD;AAChD,qDAAkD;AAClD,+CAAgE;AAgBhE,SAAgB,kBAAkB,CAChC,IAA8C,EAC9C,OAA+B;IAE/B,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,EAAE,EAAE,MAAM,EAAE,GAAG,IAAI,CAAC;IACxC,MAAM,MAAM,GAAG,MAAM,CAAC,MAAM,CAAC;IAC7B,MAAM,SAAS,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IAEnC,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAEvE,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,SAAS,GAAG,QAAQ,CAAC,CAAC,CAAC;IAE9E,MAAM,KAAK,GAAG,IAAI,mBAAM,CAAC,MAAM,EAAE,UAAU,CAAC,CAAC;IAC7C,MAAM,KAAK,GAAG,IAAI,mBAAM,CAAC,MAAM,EAAE,UAAU,CAAC,CAAC;IAE7C,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,IAAI,EACF,GAAG,EAAE,KAAK,EACV,GAAG,EAAE,KAAK,EACV,IAAI,EAAE,QAAQ,GAAG,IAAI,GACtB,GAAG,OAAO,EAAE,eAAe,IAAI,EAAE,CAAC;IAEnC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,MAAM,EAAE,CAAC,EAAE,EAAE;QAC/B,MAAM,OAAO,GAAG,IAAA,6BAAa,EAC3B,EAAE,EAAE,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,EAAE,EAAE,MAAM,CAAC,CAAC,CAAC,EAAE,EAChC,EAAE,kBAAkB,EAAE,CACvB,CAAC;QAEF,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,+BAAc,EAAC,OAAO,EAAE,EAAE,kBAAkB,EAAE,CAAC,CAAC,CAAC;QAExE,IAAI,aAAa,EAAE;YACjB,MAAM,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,GAAG,IAAA,yBAAW,EAAC,OAAO,EAAE,aAAa,CAAC,CAAC;YACjE,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,CAAC,CAAC;SAC9C;QAED,MAAM,CAAC,MAAM,CACX,OAAO,EACP,IAAA,yBAAW,EAAC,OAAO,EAAE,EAAE,kBAAkB,EAAE,QAAQ,EAAE,UAAU,EAAE,CAAC,CACnE,CAAC;QAEF,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,+BAAO,EAAC,OAAO,EAAE,EAAE,cAAc,EAAE,IAAI,EAAE,CAAC,CAAC,CAAC;QAEnE,MAAM,UAAU,GACd,CAAC,kBAAkB,GAAG,IAAI,CAAC,KAAK,CAAC,kBAAkB,CAAC,CAAC,GAAG,IAAI,CAAC,EAAE,GAAG,CAAC,CAAC;QACtE,IAAI,UAAU,GAAG,CAAC,EAAE;YAClB,MAAM,CAAC,MAAM,CAAC,OAAO,EAAE,IAAA,2CAAmB,EAAC,OAAO,EAAE,CAAC,EAAE,CAAC,UAAU,CAAC,CAAC,CAAC;SACtE;QAED,IACE,CAAC,KAAK,CAAC;YACP,QAAQ,KAAK,IAAI;YACjB,KAAK,KAAK,SAAS;YACnB,KAAK,KAAK,SAAS,EACnB;YACA,MAAM,MAAM,GAAG,IAAA,+CAAuB,EAAC,OAAO,EAAE,EAAE,aAAa,EAAE,KAAK,EAAE,CAAC,CAAC;YAC1E,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;YACnB,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;SACpB;QACD,IAAI,QAAQ,KAAK,IAAI,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;YACnE,MAAM,CAAC,MAAM,CACX,OAAO,EACP,IAAA,2CAAmB,EACjB,OAAO,EACP,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACvB,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,CACxB,CACF,CAAC;SACH;QAED,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,OAAO,CAAC,EAAE,CAAC,CAAC;QAC5B,KAAK,CAAC,MAAM,CAAC,CAAC,EAAE,OAAO,CAAC,EAAE,CAAC,CAAC;KAC7B;IAED,OAAO;QACL,EAAE,EAAE,KAAK;QACT,EAAE,EAAE,KAAK;KACV,CAAC;AACJ,CAAC;AA/ED,gDA+EC"}
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@@ -0,0 +1,23 @@
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1
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+
import { DoubleArray } from 'cheminfo-types';
|
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2
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+
import Matrix from 'ml-matrix';
|
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3
|
+
import { ApodizationFilterOptions } from '../../../apodization/apodization';
|
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4
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+
import { ZeroFillingOptions } from './zeroFilling';
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interface PhaseCorrection {
|
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6
|
+
mode?: string;
|
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7
|
+
ph0?: number;
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ph1?: number;
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}
|
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|
+
export interface IndirectDimensionOptions {
|
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11
|
+
fnMode?: string;
|
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12
|
+
zeroFilling?: ZeroFillingOptions;
|
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13
|
+
apodization?: ApodizationFilterOptions;
|
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14
|
+
phaseCorrection?: PhaseCorrection;
|
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+
}
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16
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+
export declare function fftIndirectDimension(data: {
|
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17
|
+
re: DoubleArray[] | Matrix;
|
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18
|
+
im: DoubleArray[] | Matrix;
|
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|
+
}, options: IndirectDimensionOptions): {
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+
re: Matrix;
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+
im: Matrix;
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+
};
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|
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export {};
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@@ -0,0 +1,71 @@
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1
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+
"use strict";
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2
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+
var __importDefault = (this && this.__importDefault) || function (mod) {
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return (mod && mod.__esModule) ? mod : { "default": mod };
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};
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Object.defineProperty(exports, "__esModule", { value: true });
|
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6
|
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exports.fftIndirectDimension = void 0;
|
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7
|
+
const ml_matrix_1 = __importDefault(require("ml-matrix"));
|
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8
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
9
|
+
const apodization_1 = require("../../../apodization/apodization");
|
|
10
|
+
const zeroFilling_1 = require("./zeroFilling");
|
|
11
|
+
function fftIndirectDimension(data, options) {
|
|
12
|
+
const reData = ml_matrix_1.default.checkMatrix(data.re);
|
|
13
|
+
const imData = ml_matrix_1.default.checkMatrix(data.im);
|
|
14
|
+
const nbRows = reData.rows;
|
|
15
|
+
const nbColumns = reData.columns;
|
|
16
|
+
const { zeroFilling: zeroFillingF1 } = options;
|
|
17
|
+
const { factor: f1Factor = 2 } = zeroFillingF1 || {};
|
|
18
|
+
const nbPointsF1 = zeroFillingF1?.nbPoints || 2 ** Math.round(Math.log2(nbRows * f1Factor));
|
|
19
|
+
const { apodization: apodizationF1 } = options;
|
|
20
|
+
let { ph0: ph0F1, ph1: ph1F1, mode: pcModeF1, } = options.phaseCorrection || {};
|
|
21
|
+
const reResult = new ml_matrix_1.default(nbPointsF1, nbColumns);
|
|
22
|
+
const imResult = new ml_matrix_1.default(nbPointsF1, nbColumns);
|
|
23
|
+
for (let i = 0; i < nbColumns; i++) {
|
|
24
|
+
const { re: aRe, im: aIm } = (0, apodization_1.apodization)({
|
|
25
|
+
re: reData.getColumn(i),
|
|
26
|
+
im: imData.getColumn(i),
|
|
27
|
+
}, apodizationF1);
|
|
28
|
+
const newRe = [];
|
|
29
|
+
const newIm = [];
|
|
30
|
+
if (options.fnMode === 'echo') {
|
|
31
|
+
for (let j = 0; j < aRe.length; j += 2) {
|
|
32
|
+
newRe.push(aRe[j]);
|
|
33
|
+
newIm.push(aRe[j + 1]);
|
|
34
|
+
}
|
|
35
|
+
}
|
|
36
|
+
else {
|
|
37
|
+
for (let j = 0; j < aRe.length; j++) {
|
|
38
|
+
newRe.push(aRe[j]);
|
|
39
|
+
newIm.push(-aIm[j]);
|
|
40
|
+
}
|
|
41
|
+
}
|
|
42
|
+
let transformed = (0, ml_spectra_processing_1.reimFFT)((0, zeroFilling_1.zeroFilling)({
|
|
43
|
+
re: newRe,
|
|
44
|
+
im: newIm,
|
|
45
|
+
}, { digitalFilterValue: 0, nbPoints: nbPointsF1 }), { applyZeroShift: true });
|
|
46
|
+
let { re, im } = transformed;
|
|
47
|
+
if (options.phaseCorrection?.mode === 'mc') {
|
|
48
|
+
re = (0, ml_spectra_processing_1.reimAbsolute)({ re, im });
|
|
49
|
+
im = new Float64Array(im.length);
|
|
50
|
+
}
|
|
51
|
+
if (pcModeF1 === 'pk') {
|
|
52
|
+
if (i === 0 && ph0F1 === undefined && ph1F1 === undefined) {
|
|
53
|
+
//here we can improve it by checking if the experiment is phase sensitive.
|
|
54
|
+
const phased = (0, ml_spectra_processing_1.reimAutoPhaseCorrection)({ re, im }, { magnitudeMode: false });
|
|
55
|
+
ph0F1 = phased.ph0;
|
|
56
|
+
ph1F1 = phased.ph1;
|
|
57
|
+
}
|
|
58
|
+
if (ph0F1 !== undefined && ph1F1 !== undefined) {
|
|
59
|
+
Object.assign(transformed, (0, ml_spectra_processing_1.reimPhaseCorrection)(transformed, (ph0F1 * Math.PI) / 180, (ph1F1 * Math.PI) / 180));
|
|
60
|
+
}
|
|
61
|
+
}
|
|
62
|
+
reResult.setColumn(i, re);
|
|
63
|
+
imResult.setColumn(i, im);
|
|
64
|
+
}
|
|
65
|
+
return {
|
|
66
|
+
re: reResult,
|
|
67
|
+
im: imResult,
|
|
68
|
+
};
|
|
69
|
+
}
|
|
70
|
+
exports.fftIndirectDimension = fftIndirectDimension;
|
|
71
|
+
//# sourceMappingURL=fftIndirectDimension.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"fftIndirectDimension.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/fftIndirectDimension.ts"],"names":[],"mappings":";;;;;;AACA,0DAA+B;AAC/B,iEAK+B;AAE/B,kEAG0C;AAE1C,+CAAgE;AAehE,SAAgB,oBAAoB,CAClC,IAAgE,EAChE,OAAiC;IAEjC,MAAM,MAAM,GAAG,mBAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAC3C,MAAM,MAAM,GAAG,mBAAM,CAAC,WAAW,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IAE3C,MAAM,MAAM,GAAG,MAAM,CAAC,IAAI,CAAC;IAC3B,MAAM,SAAS,GAAG,MAAM,CAAC,OAAO,CAAC;IAEjC,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,MAAM,EAAE,MAAM,EAAE,QAAQ,GAAG,CAAC,EAAE,GAAG,aAAa,IAAI,EAAE,CAAC;IACrD,MAAM,UAAU,GACd,aAAa,EAAE,QAAQ,IAAI,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,MAAM,GAAG,QAAQ,CAAC,CAAC,CAAC;IAC3E,MAAM,EAAE,WAAW,EAAE,aAAa,EAAE,GAAG,OAAO,CAAC;IAC/C,IAAI,EACF,GAAG,EAAE,KAAK,EACV,GAAG,EAAE,KAAK,EACV,IAAI,EAAE,QAAQ,GACf,GAAG,OAAO,CAAC,eAAe,IAAI,EAAE,CAAC;IAElC,MAAM,QAAQ,GAAG,IAAI,mBAAM,CAAC,UAAU,EAAE,SAAS,CAAC,CAAC;IACnD,MAAM,QAAQ,GAAG,IAAI,mBAAM,CAAC,UAAU,EAAE,SAAS,CAAC,CAAC;IACnD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,SAAS,EAAE,CAAC,EAAE,EAAE;QAClC,MAAM,EAAE,EAAE,EAAE,GAAG,EAAE,EAAE,EAAE,GAAG,EAAE,GAAG,IAAA,yBAAW,EACtC;YACE,EAAE,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC;YACvB,EAAE,EAAE,MAAM,CAAC,SAAS,CAAC,CAAC,CAAC;SACxB,EACD,aAAa,CACd,CAAC;QAEF,MAAM,KAAK,GAAG,EAAE,CAAC;QACjB,MAAM,KAAK,GAAG,EAAE,CAAC;QACjB,IAAI,OAAO,CAAC,MAAM,KAAK,MAAM,EAAE;YAC7B,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,IAAI,CAAC,EAAE;gBACtC,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC;aACxB;SACF;aAAM;YACL,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,GAAG,CAAC,MAAM,EAAE,CAAC,EAAE,EAAE;gBACnC,KAAK,CAAC,IAAI,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;gBACnB,KAAK,CAAC,IAAI,CAAC,CAAC,GAAG,CAAC,CAAC,CAAC,CAAC,CAAC;aACrB;SACF;QAED,IAAI,WAAW,GAAG,IAAA,+BAAO,EACvB,IAAA,yBAAW,EACT;YACE,EAAE,EAAE,KAAK;YACT,EAAE,EAAE,KAAK;SACV,EACD,EAAE,kBAAkB,EAAE,CAAC,EAAE,QAAQ,EAAE,UAAU,EAAE,CAChD,EACD,EAAE,cAAc,EAAE,IAAI,EAAE,CACzB,CAAC;QACF,IAAI,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,WAAW,CAAC;QAE7B,IAAI,OAAO,CAAC,eAAe,EAAE,IAAI,KAAK,IAAI,EAAE;YAC1C,EAAE,GAAG,IAAA,oCAAY,EAAC,EAAE,EAAE,EAAE,EAAE,EAAE,CAAC,CAAC;YAC9B,EAAE,GAAG,IAAI,YAAY,CAAC,EAAE,CAAC,MAAM,CAAC,CAAC;SAClC;QAED,IAAI,QAAQ,KAAK,IAAI,EAAE;YACrB,IAAI,CAAC,KAAK,CAAC,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;gBACzD,0EAA0E;gBAC1E,MAAM,MAAM,GAAG,IAAA,+CAAuB,EACpC,EAAE,EAAE,EAAE,EAAE,EAAE,EACV,EAAE,aAAa,EAAE,KAAK,EAAE,CACzB,CAAC;gBACF,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;gBACnB,KAAK,GAAG,MAAM,CAAC,GAAG,CAAC;aACpB;YACD,IAAI,KAAK,KAAK,SAAS,IAAI,KAAK,KAAK,SAAS,EAAE;gBAC9C,MAAM,CAAC,MAAM,CACX,WAAW,EACX,IAAA,2CAAmB,EACjB,WAAW,EACX,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,EACvB,CAAC,KAAK,GAAG,IAAI,CAAC,EAAE,CAAC,GAAG,GAAG,CACxB,CACF,CAAC;aACH;SACF;QAED,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;QAC1B,QAAQ,CAAC,SAAS,CAAC,CAAC,EAAE,EAAE,CAAC,CAAC;KAC3B;IAED,OAAO;QACL,EAAE,EAAE,QAAQ;QACZ,EAAE,EAAE,QAAQ;KACb,CAAC;AACJ,CAAC;AA7FD,oDA6FC"}
|
|
@@ -0,0 +1,19 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.removeDCOffset = void 0;
|
|
4
|
+
const ml_spectra_processing_1 = require("ml-spectra-processing");
|
|
5
|
+
function removeDCOffset(data, options) {
|
|
6
|
+
let { digitalFilterValue = 0 } = options;
|
|
7
|
+
const nbPoints = data.re.length;
|
|
8
|
+
const newRe = new Float64Array(data.re);
|
|
9
|
+
const newIm = new Float64Array(data.im);
|
|
10
|
+
const averageRe = (0, ml_spectra_processing_1.xMean)(data.re.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilterValue));
|
|
11
|
+
const averageIm = (0, ml_spectra_processing_1.xMean)(data.im.slice((nbPoints * 0.75) >> 0, nbPoints - digitalFilterValue));
|
|
12
|
+
for (let i = digitalFilterValue; i < nbPoints - digitalFilterValue; i++) {
|
|
13
|
+
newRe[i] -= averageRe;
|
|
14
|
+
newIm[i] -= averageIm;
|
|
15
|
+
}
|
|
16
|
+
return { re: newRe, im: newIm };
|
|
17
|
+
}
|
|
18
|
+
exports.removeDCOffset = removeDCOffset;
|
|
19
|
+
//# sourceMappingURL=removeDCOffset.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"removeDCOffset.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/removeDCOffset.ts"],"names":[],"mappings":";;;AAAA,iEAAwD;AAExD,SAAgB,cAAc,CAAC,IAAc,EAAE,OAAY;IACzD,IAAI,EAAE,kBAAkB,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IACzC,MAAM,QAAQ,GAAG,IAAI,CAAC,EAAE,CAAC,MAAM,CAAC;IAChC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,KAAK,GAAG,IAAI,YAAY,CAAC,IAAI,CAAC,EAAE,CAAC,CAAC;IACxC,MAAM,SAAS,GAAG,IAAA,6BAAK,EACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,kBAAkB,CAAC,CACrE,CAAC;IACF,MAAM,SAAS,GAAG,IAAA,6BAAK,EACrB,IAAI,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,QAAQ,GAAG,IAAI,CAAC,IAAI,CAAC,EAAE,QAAQ,GAAG,kBAAkB,CAAC,CACrE,CAAC;IACF,KAAK,IAAI,CAAC,GAAG,kBAAkB,EAAE,CAAC,GAAG,QAAQ,GAAG,kBAAkB,EAAE,CAAC,EAAE,EAAE;QACvE,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;QACtB,KAAK,CAAC,CAAC,CAAC,IAAI,SAAS,CAAC;KACvB;IACD,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AAhBD,wCAgBC"}
|
|
@@ -0,0 +1,10 @@
|
|
|
1
|
+
import { DataReIm } from 'ml-spectra-processing';
|
|
2
|
+
export interface ZeroFillingOptions {
|
|
3
|
+
nbPoints?: number;
|
|
4
|
+
factor?: number;
|
|
5
|
+
digitalFilterValue?: number;
|
|
6
|
+
}
|
|
7
|
+
export declare function zeroFilling(data: DataReIm, options: ZeroFillingOptions): {
|
|
8
|
+
re: Float64Array;
|
|
9
|
+
im: Float64Array;
|
|
10
|
+
};
|
|
@@ -0,0 +1,29 @@
|
|
|
1
|
+
"use strict";
|
|
2
|
+
Object.defineProperty(exports, "__esModule", { value: true });
|
|
3
|
+
exports.zeroFilling = void 0;
|
|
4
|
+
function zeroFilling(data, options) {
|
|
5
|
+
let { nbPoints, factor = 2, digitalFilterValue: grpdly = 0 } = options;
|
|
6
|
+
if (!nbPoints) {
|
|
7
|
+
nbPoints = 2 ** Math.round(Math.log2(data.re.length * factor));
|
|
8
|
+
}
|
|
9
|
+
let pointsToShift;
|
|
10
|
+
if (grpdly > 0) {
|
|
11
|
+
pointsToShift = Math.floor(grpdly);
|
|
12
|
+
}
|
|
13
|
+
else {
|
|
14
|
+
pointsToShift = 0;
|
|
15
|
+
}
|
|
16
|
+
const { re, im } = data;
|
|
17
|
+
let newRE = new Float64Array(nbPoints);
|
|
18
|
+
let newIM = new Float64Array(nbPoints);
|
|
19
|
+
const length = Math.min(nbPoints, re.length);
|
|
20
|
+
newRE.set(re.slice(0, length - pointsToShift));
|
|
21
|
+
newIM.set(im.slice(0, length - pointsToShift));
|
|
22
|
+
if (pointsToShift > 0 && pointsToShift < nbPoints) {
|
|
23
|
+
newRE.set(re.slice(re.length - pointsToShift), nbPoints - pointsToShift);
|
|
24
|
+
newIM.set(im.slice(re.length - pointsToShift), nbPoints - pointsToShift);
|
|
25
|
+
}
|
|
26
|
+
return { re: newRE, im: newIM };
|
|
27
|
+
}
|
|
28
|
+
exports.zeroFilling = zeroFilling;
|
|
29
|
+
//# sourceMappingURL=zeroFilling.js.map
|
|
@@ -0,0 +1 @@
|
|
|
1
|
+
{"version":3,"file":"zeroFilling.js","sourceRoot":"","sources":["../../../../src/xyz/util/fft2d/zeroFilling.ts"],"names":[],"mappings":";;;AAQA,SAAgB,WAAW,CAAC,IAAc,EAAE,OAA2B;IACrE,IAAI,EAAE,QAAQ,EAAE,MAAM,GAAG,CAAC,EAAE,kBAAkB,EAAE,MAAM,GAAG,CAAC,EAAE,GAAG,OAAO,CAAC;IAEvE,IAAI,CAAC,QAAQ,EAAE;QACb,QAAQ,GAAG,CAAC,IAAI,IAAI,CAAC,KAAK,CAAC,IAAI,CAAC,IAAI,CAAC,IAAI,CAAC,EAAE,CAAC,MAAM,GAAG,MAAM,CAAC,CAAC,CAAC;KAChE;IAED,IAAI,aAAa,CAAC;IAClB,IAAI,MAAM,GAAG,CAAC,EAAE;QACd,aAAa,GAAG,IAAI,CAAC,KAAK,CAAC,MAAM,CAAC,CAAC;KACpC;SAAM;QACL,aAAa,GAAG,CAAC,CAAC;KACnB;IAED,MAAM,EAAE,EAAE,EAAE,EAAE,EAAE,GAAG,IAAI,CAAC;IAExB,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IACvC,IAAI,KAAK,GAAG,IAAI,YAAY,CAAC,QAAQ,CAAC,CAAC;IAEvC,MAAM,MAAM,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,EAAE,EAAE,CAAC,MAAM,CAAC,CAAC;IAE7C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAC/C,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,CAAC,EAAE,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC;IAE/C,IAAI,aAAa,GAAG,CAAC,IAAI,aAAa,GAAG,QAAQ,EAAE;QACjD,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;QACzE,KAAK,CAAC,GAAG,CAAC,EAAE,CAAC,KAAK,CAAC,EAAE,CAAC,MAAM,GAAG,aAAa,CAAC,EAAE,QAAQ,GAAG,aAAa,CAAC,CAAC;KAC1E;IAED,OAAO,EAAE,EAAE,EAAE,KAAK,EAAE,EAAE,EAAE,KAAK,EAAE,CAAC;AAClC,CAAC;AA9BD,kCA8BC"}
|
|
@@ -1,10 +1,12 @@
|
|
|
1
|
-
import {
|
|
2
|
-
export declare function padData(spectraData:
|
|
1
|
+
import { MinMaxContent } from 'cheminfo-types';
|
|
2
|
+
export declare function padData(spectraData: MinMaxContent, options: {
|
|
3
3
|
width: number;
|
|
4
4
|
}): {
|
|
5
|
-
z:
|
|
5
|
+
z: Float64Array[];
|
|
6
6
|
minX: number;
|
|
7
7
|
maxX: number;
|
|
8
8
|
minY: number;
|
|
9
9
|
maxY: number;
|
|
10
|
+
minZ: number;
|
|
11
|
+
maxZ: number;
|
|
10
12
|
};
|
package/lib/xyz/util/padData.js
CHANGED
|
@@ -1,10 +1,6 @@
|
|
|
1
1
|
"use strict";
|
|
2
|
-
var __importDefault = (this && this.__importDefault) || function (mod) {
|
|
3
|
-
return (mod && mod.__esModule) ? mod : { "default": mod };
|
|
4
|
-
};
|
|
5
2
|
Object.defineProperty(exports, "__esModule", { value: true });
|
|
6
3
|
exports.padData = void 0;
|
|
7
|
-
const ml_matrix_1 = __importDefault(require("ml-matrix"));
|
|
8
4
|
function padData(spectraData, options) {
|
|
9
5
|
let { minX, maxX, minY, maxY } = spectraData;
|
|
10
6
|
const width = options.width;
|
|
@@ -20,14 +16,18 @@ function padData(spectraData, options) {
|
|
|
20
16
|
yDiff++;
|
|
21
17
|
let xOffset = xDiff / 2;
|
|
22
18
|
let yOffset = yDiff / 2;
|
|
23
|
-
|
|
19
|
+
const newMatrix = [];
|
|
20
|
+
for (let i = 0; i < nbSubSpectra + yDiff; i++) {
|
|
21
|
+
newMatrix.push(new Float64Array(nbPoints + xDiff));
|
|
22
|
+
}
|
|
24
23
|
for (let i = 0; i < nbSubSpectra; i++) {
|
|
25
24
|
for (let j = 0; j < nbPoints; j++) {
|
|
26
|
-
newMatrix
|
|
25
|
+
newMatrix[i + yOffset].set(spectraData.z[i], xOffset);
|
|
27
26
|
}
|
|
28
27
|
}
|
|
29
28
|
return {
|
|
30
|
-
|
|
29
|
+
...spectraData,
|
|
30
|
+
z: newMatrix,
|
|
31
31
|
minX: minX - xOffset * xInterval,
|
|
32
32
|
maxX: maxX + xOffset * xInterval,
|
|
33
33
|
minY: minY - yOffset * yInterval,
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":"
|
|
1
|
+
{"version":3,"file":"padData.js","sourceRoot":"","sources":["../../../src/xyz/util/padData.ts"],"names":[],"mappings":";;;AAEA,SAAgB,OAAO,CACrB,WAA0B,EAC1B,OAA0B;IAE1B,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,IAAI,EAAE,GAAG,WAAW,CAAC;IAE7C,MAAM,KAAK,GAAG,OAAO,CAAC,KAAK,CAAC;IAE5B,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAExC,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,YAAY,GAAG,CAAC,CAAC,CAAC;IACnD,IAAI,SAAS,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,GAAG,CAAC,CAAC,CAAC;IAE/C,IAAI,KAAK,GAAG,KAAK,GAAG,YAAY,CAAC;IACjC,IAAI,KAAK,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,QAAQ,EAAE,CAAC,CAAC,CAAC;IAC1C,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IACvB,IAAI,KAAK,GAAG,CAAC;QAAE,KAAK,EAAE,CAAC;IAEvB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IACxB,IAAI,OAAO,GAAG,KAAK,GAAG,CAAC,CAAC;IAExB,MAAM,SAAS,GAAmB,EAAE,CAAC;IACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,GAAG,KAAK,EAAE,CAAC,EAAE,EAAE;QAC7C,SAAS,CAAC,IAAI,CAAC,IAAI,YAAY,CAAC,QAAQ,GAAG,KAAK,CAAC,CAAC,CAAC;KACpD;IACD,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,YAAY,EAAE,CAAC,EAAE,EAAE;QACrC,KAAK,IAAI,CAAC,GAAG,CAAC,EAAE,CAAC,GAAG,QAAQ,EAAE,CAAC,EAAE,EAAE;YACjC,SAAS,CAAC,CAAC,GAAG,OAAO,CAAC,CAAC,GAAG,CAAC,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,EAAE,OAAO,CAAC,CAAC;SACvD;KACF;IAED,OAAO;QACL,GAAG,WAAW;QACd,CAAC,EAAE,SAAS;QACZ,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;QAChC,IAAI,EAAE,IAAI,GAAG,OAAO,GAAG,SAAS;KACjC,CAAC;AACJ,CAAC;AAxCD,0BAwCC"}
|
|
@@ -1,8 +1,8 @@
|
|
|
1
|
+
import { MinMaxContent } from 'cheminfo-types';
|
|
1
2
|
import * as matrixPeakFinders from 'ml-matrix-peaks-finder';
|
|
2
3
|
import type { Peak2D } from 'ml-matrix-peaks-finder';
|
|
3
4
|
import type { GetKernelOptions } from '../peaks/util/getKernel';
|
|
4
5
|
import { MakeMandatory } from '../utilities/MakeMandatory';
|
|
5
|
-
import { Data2D } from './Data2D';
|
|
6
6
|
import type { NMRSignal2D } from './NMRSignal2D';
|
|
7
7
|
export interface XYZAutoSignalsPickingOptions {
|
|
8
8
|
/**
|
|
@@ -60,7 +60,7 @@ export interface XYZAutoSignalsPickingOptions {
|
|
|
60
60
|
kernel?: GetKernelOptions;
|
|
61
61
|
}
|
|
62
62
|
export type NMRSignal2DWithID<T extends Peak2D = Peak2D> = MakeMandatory<NMRSignal2D<T>, 'id'>;
|
|
63
|
-
export declare function xyzAutoSignalsPicking(spectraData:
|
|
63
|
+
export declare function xyzAutoSignalsPicking(spectraData: MinMaxContent, options: XYZAutoSignalsPickingOptions): NMRSignal2DWithID<matrixPeakFinders.Peak2D & {
|
|
64
64
|
id: string;
|
|
65
65
|
}>[];
|
|
66
66
|
/**
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"xyzAutoSignalsPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoSignalsPicking.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,uCAAgD;
|
|
1
|
+
{"version":3,"file":"xyzAutoSignalsPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoSignalsPicking.ts"],"names":[],"mappings":";;;;;;;;;;;;;;;;;;;;;;;;;;;;;AAAA,uCAAgD;AAEhD,mEAAqD;AACrD,0EAA4D;AAE5D,gFAAoD;AAEpD,+DAA4D;AAC5D,qEAAkE;AAClE,uDAAoD;AAEpD,2EAA6D;AAI7D,4CAAyC;AAEzC,MAAM,WAAW,GAAG;IAClB,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IACjC,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;IAC3B,CAAC,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,EAAE,CAAC,CAAC;CAC5B,CAAC;AA+DF,SAAgB,qBAAqB,CACnC,WAA0B,EAC1B,OAAqC;IAErC,IAAI,EACF,SAAS,GAAG,EAAE,EACd,gBAAgB,GAAG,IAAI,EACvB,eAAe,GAAG,GAAG,EACrB,MAAM,GAAG,CAAC,IAAI,EAAE,IAAI,CAAC,EACrB,mBAAmB,EACnB,eAAe,GAAG,KAAK,EACvB,KAAK,GAAG,IAAI,EACZ,gBAAgB,GAAG,IAAI,EACvB,UAAU,GAAG,CAAC,EAAE,EAAE,EAAE,CAAC,EACrB,gBAAgB,GAAG,IAAI,EACvB,MAAM,EAAE,aAAa,GACtB,GAAG,OAAO,CAAC;IAEZ,IACE,CAAC,KAAK,CAAC,OAAO,CAAC,mBAAmB,CAAC;QACnC,CAAC,WAAW,CAAC,MAAM,CAAC,mBAAmB,CAAC,EACxC;QACA,MAAM,IAAI,KAAK,CAAC,kCAAkC,CAAC,CAAC;KACrD;IAED,eAAe,GAAG,eAAe,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC,GAAG,CAAC,eAAe,CAAC,CAAC;IAExE,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;IACvC,IAAI,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;IAExC,IAAI,YAAY,GAAG,SAAS,EAAE;QAC5B,WAAW,GAAG,IAAA,iBAAO,EAAC,WAAW,EAAE,EAAE,KAAK,EAAE,SAAS,EAAE,CAAC,CAAC;QACzD,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,CAAC,CAAC,CAAC,MAAM,CAAC;QACnC,YAAY,GAAG,WAAW,CAAC,CAAC,CAAC,MAAM,CAAC;KACrC;IAED,IAAI,YAAY,GAAG,IAAI,YAAY,CAAC,QAAQ,GAAG,YAAY,CAAC,CAAC;IAC7D,IAAI,YAAY,GAAG,IAAI,YAAY,CAAC,QAAQ,GAAG,YAAY,CAAC,CAAC;IAE7D,KAAK,IAAI,WAAW,GAAG,CAAC,EAAE,WAAW,GAAG,YAAY,EAAE,WAAW,EAAE,EAAE;QACnE,IAAI,QAAQ,GAAG,WAAW,CAAC,CAAC,CAAC,WAAW,CAAC,CAAC;QAC1C,KAAK,IAAI,IAAI,GAAG,CAAC,EAAE,IAAI,GAAG,QAAQ,EAAE,IAAI,EAAE,EAAE;YAC1C,IAAI,KAAK,GAAG,WAAW,GAAG,QAAQ,GAAG,IAAI,CAAC;YAC1C,YAAY,CAAC,KAAK,CAAC,GAAG,IAAI,CAAC,GAAG,CAAC,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC;YAC/C,YAAY,CAAC,KAAK,CAAC,GAAG,QAAQ,CAAC,IAAI,CAAC,CAAC,CAAC,8CAA8C;SACrF;KACF;IAED,MAAM,MAAM,GAAG,aAAa,CAAC,CAAC,CAAC,IAAA,qBAAS,EAAC,aAAa,CAAC,CAAC,CAAC,CAAC,WAAW,CAAC;IAEtE,IAAI,kBAAkB,GAAG,gBAAgB;QACvC,CAAC,CAAC,WAAW,CAAC,GAAG,CAAC,YAAY,EAAE,MAAM,EAAE;YACpC,IAAI,EAAE,YAAY;YAClB,IAAI,EAAE,QAAQ;SACf,CAAC;QACJ,CAAC,CAAC,WAAW,CAAC,MAAM,CAAC,YAAY,EAAE,MAAM,EAAE;YACvC,IAAI,EAAE,YAAY;YAClB,IAAI,EAAE,QAAQ;SACf,CAAC,CAAC;IAEP,IAAI,QAAQ,GAAG,iBAAiB,CAAC,iBAAiB,CAAC,YAAY,EAAE;QAC/D,YAAY;QACZ,YAAY,EAAE,kBAAkB;QAChC,IAAI,EAAE,YAAY;QAClB,IAAI,EAAE,QAAQ;QACd,OAAO,EAAE,eAAe;KACzB,CAAC,CAAC;IAEH,IAAI,KAAK,EAAE;QACT,sEAAsE;QACtE,QAAQ,GAAG,aAAa,CAAC,KAAK,CAAC,QAAQ,EAAE,gBAAgB,CAAC,CAAC;KAC5D;IAED,IAAI,OAAO,GAAG,eAAe,CAAC,IAAA,6BAAa,EAAC,QAAQ,CAAC,EAAE;QACrD,KAAK,EAAE,YAAY;QACnB,KAAK,EAAE,QAAQ;QACf,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,IAAI,EAAE,WAAW,CAAC,IAAI;QACtB,YAAY;QACZ,YAAY;QACZ,UAAU;QACV,MAAM;QACN,mBAAmB;QACnB,gBAAgB;KACjB,CAAC,CAAC;IAEH,IAAI,eAAe,EAAE;QACnB,OAAO,GAAG,aAAa,CAAC,eAAe,CAAC,OAAO,CAAC,CAAC;KAClD;IAED,OAAO,OAAO,CAAC;AACjB,CAAC;AA7FD,sDA6FC;AAuBD,SAAS,eAAe,CACtB,KAAU,EACV,OAA+B;IAE/B,IAAI,EACF,KAAK,EACL,KAAK,EACL,YAAY,EACZ,YAAY,EACZ,mBAAmB,EACnB,UAAU,EACV,MAAM,EACN,gBAAgB,EAChB,IAAI,EACJ,IAAI,EACJ,IAAI,EACJ,IAAI,GACL,GAAG,OAAO,CAAC;IAEZ,IAAI,CAAC,QAAQ,EAAE,QAAQ,CAAC,GAAG,MAAM,CAAC;IAClC,IAAI,CAAC,UAAU,EAAE,UAAU,CAAC,GAAG,UAAU,CAAC;IAC1C,IAAI,CAAC,iBAAiB,EAAE,iBAAiB,CAAC,GAAG,mBAAmB,CAAC;IAEjE,IAAI,EAAE,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;IACrC,IAAI,EAAE,GAAG,CAAC,IAAI,GAAG,IAAI,CAAC,GAAG,CAAC,KAAK,GAAG,CAAC,CAAC,CAAC;IAErC,IAAI,gBAAgB,EAAE;QACpB,KAAK,GAAG,IAAA,mCAAgB,EAAC,KAAK,EAAE;YAC9B,KAAK;YACL,YAAY;YACZ,YAAY;YACZ,IAAI;YACJ,IAAI;YACJ,IAAI;YACJ,IAAI;SACL,CAAC,CAAC;KACJ;IAED,KAAK,IAAI,CAAC,GAAG,KAAK,CAAC,MAAM,GAAG,CAAC,EAAE,CAAC,IAAI,CAAC,EAAE,CAAC,EAAE,EAAE;QAC1C,IAAI,EAAE,CAAC,EAAE,CAAC,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC;QACxB,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,CAAC,CAAC;QAC3B,KAAK,CAAC,CAAC,CAAC,CAAC,CAAC,GAAG,IAAI,GAAG,EAAE,GAAG,CAAC,CAAC;QAC3B,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1C,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,CAAC;QAC1C,KAAK,CAAC,CAAC,CAAC,CAAC,IAAI,GAAG,IAAI,GAAG,EAAE,GAAG,KAAK,CAAC,CAAC,CAA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|
@@ -1,13 +1,7 @@
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|
|
1
|
+
import { MinMaxContent } from 'cheminfo-types';
|
|
1
2
|
import type { GetKernelOptions } from '../peaks/util/getKernel';
|
|
2
3
|
import { MakeMandatory } from '../utilities/MakeMandatory';
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|
3
4
|
import { NMRZone } from './NMRZone';
|
|
4
|
-
export interface Data2D {
|
|
5
|
-
z: number[][] | Float64Array[];
|
|
6
|
-
minX: number;
|
|
7
|
-
maxX: number;
|
|
8
|
-
minY: number;
|
|
9
|
-
maxY: number;
|
|
10
|
-
}
|
|
11
5
|
export interface XYZAutoZonesPickingOptions {
|
|
12
6
|
/**
|
|
13
7
|
* max number of points in any dimension to pad the input data, this is needed to avoid lost peaks when the input matrix is too small.
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@@ -64,4 +58,4 @@ export interface XYZAutoZonesPickingOptions {
|
|
|
64
58
|
kernel?: GetKernelOptions;
|
|
65
59
|
}
|
|
66
60
|
export type NMRZoneWithID = MakeMandatory<NMRZone, 'id'>;
|
|
67
|
-
export declare function xyzAutoZonesPicking(spectraData:
|
|
61
|
+
export declare function xyzAutoZonesPicking(spectraData: MinMaxContent, options: XYZAutoZonesPickingOptions): NMRZoneWithID[];
|
|
@@ -1 +1 @@
|
|
|
1
|
-
{"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;
|
|
1
|
+
{"version":3,"file":"xyzAutoZonesPicking.js","sourceRoot":"","sources":["../../src/xyz/xyzAutoZonesPicking.ts"],"names":[],"mappings":";;;AAEA,0BAA2C;AAK3C,kDAAgD;AA2DhD,SAAgB,mBAAmB,CACjC,WAA0B,EAC1B,OAAmC;IAEnC,MAAM,OAAO,GAAG,IAAA,yBAAqB,EAAC,WAAW,EAAE,OAAO,CAAC,CAAC;IAC5D,OAAO,IAAA,wBAAW,EAAC,OAAO,CAAC,CAAC;AAC9B,CAAC;AAND,kDAMC"}
|
|
@@ -0,0 +1,40 @@
|
|
|
1
|
+
import { Data2D, DoubleArray } from 'cheminfo-types';
|
|
2
|
+
import { ApodizationFilterOptions } from '../apodization/apodization';
|
|
3
|
+
import { DirectDimensionOptions } from './util/fft2d/fftDirectDimension';
|
|
4
|
+
import { IndirectDimensionOptions } from './util/fft2d/fftIndirectDimension';
|
|
5
|
+
import { ZeroFillingOptions } from './util/fft2d/zeroFilling';
|
|
6
|
+
type Info2D = any;
|
|
7
|
+
interface BidimensionalFFTOptions {
|
|
8
|
+
fnMode: string;
|
|
9
|
+
info: Info2D;
|
|
10
|
+
zeroFilling?: ZeroFillingOptions;
|
|
11
|
+
phaseCorrection?: {
|
|
12
|
+
ph0: number;
|
|
13
|
+
ph1: number;
|
|
14
|
+
};
|
|
15
|
+
digitalFilterValue?: number;
|
|
16
|
+
apodization?: ApodizationFilterOptions;
|
|
17
|
+
indirect?: IndirectDimensionOptions;
|
|
18
|
+
direct?: DirectDimensionOptions;
|
|
19
|
+
}
|
|
20
|
+
export declare function xyzBidimensionalFFT(data: Data2D, options: BidimensionalFFTOptions): {
|
|
21
|
+
re: {
|
|
22
|
+
minX: number;
|
|
23
|
+
maxX: number;
|
|
24
|
+
minY: number;
|
|
25
|
+
maxY: number;
|
|
26
|
+
z: DoubleArray[];
|
|
27
|
+
maxZ: number;
|
|
28
|
+
minZ: number;
|
|
29
|
+
};
|
|
30
|
+
im: {
|
|
31
|
+
minX: number;
|
|
32
|
+
maxX: number;
|
|
33
|
+
minY: number;
|
|
34
|
+
maxY: number;
|
|
35
|
+
z: DoubleArray[];
|
|
36
|
+
maxZ: number;
|
|
37
|
+
minZ: number;
|
|
38
|
+
};
|
|
39
|
+
};
|
|
40
|
+
export {};
|