nmr-processing 10.0.1 → 10.0.3-pre.1692096567

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.
@@ -19,7 +19,7 @@ function updateIntegralsRelativeValues(spectrum, forceCalculateIntegral = false)
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  }
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  spectrum.integrals.values = (0, mapValues_1.mapValues)(values, 'integral', factor, checkIntegralKind_1.checkIntegralKind);
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = (0, getSum_1.getSum)(values, 'integral', checkIntegralKind_1.checkIntegralKind);
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+ options.sum = (0, getSum_1.getSum)(spectrum.integrals.values, 'integral', checkIntegralKind_1.checkIntegralKind);
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  }
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  }
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  exports.updateIntegralsRelativeValues = updateIntegralsRelativeValues;
@@ -1 +1 @@
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- {"version":3,"file":"updateIntegralsRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateIntegralsRelativeValues.ts"],"names":[],"mappings":";;;AACA,sDAAmD;AAGnD,2DAAwD;AACxD,2CAAwC;AAExC,SAAgB,6BAA6B,CAC3C,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,SAAS,CAAC;IAE/C,MAAM,UAAU,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,qCAAiB,CAAC,CAAC;IAEjE,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,QAAQ,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SACzD;KACF;IAED,QAAQ,CAAC,SAAS,CAAC,MAAM,GAAG,IAAA,qBAAS,EACnC,MAAM,EACN,UAAU,EACV,MAAM,EACN,qCAAiB,CACJ,CAAC;IAEhB,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,qCAAiB,CAAC,CAAC;KAC7D;AACH,CAAC;AA5BD,sEA4BC"}
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+ {"version":3,"file":"updateIntegralsRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateIntegralsRelativeValues.ts"],"names":[],"mappings":";;;AACA,sDAAmD;AAGnD,2DAAwD;AACxD,2CAAwC;AAExC,SAAgB,6BAA6B,CAC3C,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,SAAS,CAAC;IAE/C,MAAM,UAAU,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,qCAAiB,CAAC,CAAC;IAEjE,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,QAAQ,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SACzD;KACF;IAED,QAAQ,CAAC,SAAS,CAAC,MAAM,GAAG,IAAA,qBAAS,EACnC,MAAM,EACN,UAAU,EACV,MAAM,EACN,qCAAiB,CACJ,CAAC;IAEhB,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,IAAA,eAAM,EAClB,QAAQ,CAAC,SAAS,CAAC,MAAM,EACzB,UAAU,EACV,qCAAiB,CAClB,CAAC;KACH;AACH,CAAC;AAhCD,sEAgCC"}
@@ -19,7 +19,7 @@ function updateRangesRelativeValues(spectrum, forceCalculateIntegral = false) {
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  }
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  spectrum.ranges.values = (0, mapValues_1.mapValues)(values, 'integration', factor, checkRangeKind_1.checkRangeKind);
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = (0, getSum_1.getSum)(values, 'integration', checkRangeKind_1.checkRangeKind);
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+ options.sum = (0, getSum_1.getSum)(spectrum.ranges.values, 'integration', checkRangeKind_1.checkRangeKind);
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  }
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  }
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  exports.updateRangesRelativeValues = updateRangesRelativeValues;
@@ -1 +1 @@
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- {"version":3,"file":"updateRangesRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRangesRelativeValues.ts"],"names":[],"mappings":";;;AACA,sDAAmD;AAGnD,qDAAkD;AAClD,2CAAwC;AAExC,SAAgB,0BAA0B,CACxC,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE5C,MAAM,UAAU,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,+BAAc,CAAC,CAAC;IAE9D,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,WAAW,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SAC5D;KACF;IAED,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,IAAA,qBAAS,EAChC,MAAM,EACN,aAAa,EACb,MAAM,EACN,+BAAc,CACJ,CAAC;IAEb,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,aAAa,EAAE,+BAAc,CAAC,CAAC;KAC7D;AACH,CAAC;AA5BD,gEA4BC"}
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+ {"version":3,"file":"updateRangesRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRangesRelativeValues.ts"],"names":[],"mappings":";;;AACA,sDAAmD;AAGnD,qDAAkD;AAClD,2CAAwC;AAExC,SAAgB,0BAA0B,CACxC,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE5C,MAAM,UAAU,GAAG,IAAA,eAAM,EAAC,MAAM,EAAE,UAAU,EAAE,+BAAc,CAAC,CAAC;IAE9D,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,WAAW,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SAC5D;KACF;IAED,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,IAAA,qBAAS,EAChC,MAAM,EACN,aAAa,EACb,MAAM,EACN,+BAAc,CACJ,CAAC;IAEb,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,IAAA,eAAM,EAAC,QAAQ,CAAC,MAAM,CAAC,MAAM,EAAE,aAAa,EAAE,+BAAc,CAAC,CAAC;KAC7E;AACH,CAAC;AA5BD,gEA4BC"}
@@ -16,7 +16,7 @@ export function updateIntegralsRelativeValues(spectrum, forceCalculateIntegral =
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  }
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  spectrum.integrals.values = mapValues(values, 'integral', factor, checkIntegralKind);
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = getSum(values, 'integral', checkIntegralKind);
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+ options.sum = getSum(spectrum.integrals.values, 'integral', checkIntegralKind);
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  }
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  }
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  //# sourceMappingURL=updateIntegralsRelativeValues.js.map
@@ -1 +1 @@
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- {"version":3,"file":"updateIntegralsRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateIntegralsRelativeValues.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,MAAM,EAAE,MAAM,2BAA2B,CAAC;AAGnD,OAAO,EAAE,iBAAiB,EAAE,MAAM,qBAAqB,CAAC;AACxD,OAAO,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AAExC,MAAM,UAAU,6BAA6B,CAC3C,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,SAAS,CAAC;IAE/C,MAAM,UAAU,GAAG,MAAM,CAAC,MAAM,EAAE,UAAU,EAAE,iBAAiB,CAAC,CAAC;IAEjE,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,QAAQ,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SACzD;KACF;IAED,QAAQ,CAAC,SAAS,CAAC,MAAM,GAAG,SAAS,CACnC,MAAM,EACN,UAAU,EACV,MAAM,EACN,iBAAiB,CACJ,CAAC;IAEhB,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,MAAM,CAAC,MAAM,EAAE,UAAU,EAAE,iBAAiB,CAAC,CAAC;KAC7D;AACH,CAAC"}
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+ {"version":3,"file":"updateIntegralsRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateIntegralsRelativeValues.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,MAAM,EAAE,MAAM,2BAA2B,CAAC;AAGnD,OAAO,EAAE,iBAAiB,EAAE,MAAM,qBAAqB,CAAC;AACxD,OAAO,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AAExC,MAAM,UAAU,6BAA6B,CAC3C,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,SAAS,CAAC;IAE/C,MAAM,UAAU,GAAG,MAAM,CAAC,MAAM,EAAE,UAAU,EAAE,iBAAiB,CAAC,CAAC;IAEjE,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,QAAQ,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SACzD;KACF;IAED,QAAQ,CAAC,SAAS,CAAC,MAAM,GAAG,SAAS,CACnC,MAAM,EACN,UAAU,EACV,MAAM,EACN,iBAAiB,CACJ,CAAC;IAEhB,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,MAAM,CAClB,QAAQ,CAAC,SAAS,CAAC,MAAM,EACzB,UAAU,EACV,iBAAiB,CAClB,CAAC;KACH;AACH,CAAC"}
@@ -16,7 +16,7 @@ export function updateRangesRelativeValues(spectrum, forceCalculateIntegral = fa
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  }
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  spectrum.ranges.values = mapValues(values, 'integration', factor, checkRangeKind);
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = getSum(values, 'integration', checkRangeKind);
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+ options.sum = getSum(spectrum.ranges.values, 'integration', checkRangeKind);
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  }
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  }
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  //# sourceMappingURL=updateRangesRelativeValues.js.map
@@ -1 +1 @@
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- {"version":3,"file":"updateRangesRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRangesRelativeValues.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,MAAM,EAAE,MAAM,2BAA2B,CAAC;AAGnD,OAAO,EAAE,cAAc,EAAE,MAAM,kBAAkB,CAAC;AAClD,OAAO,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AAExC,MAAM,UAAU,0BAA0B,CACxC,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE5C,MAAM,UAAU,GAAG,MAAM,CAAC,MAAM,EAAE,UAAU,EAAE,cAAc,CAAC,CAAC;IAE9D,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,WAAW,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SAC5D;KACF;IAED,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,SAAS,CAChC,MAAM,EACN,aAAa,EACb,MAAM,EACN,cAAc,CACJ,CAAC;IAEb,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,MAAM,CAAC,MAAM,EAAE,aAAa,EAAE,cAAc,CAAC,CAAC;KAC7D;AACH,CAAC"}
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+ {"version":3,"file":"updateRangesRelativeValues.js","sourceRoot":"","sources":["../../../../src/datum/data1d/utils/updateRangesRelativeValues.ts"],"names":[],"mappings":"AACA,OAAO,EAAE,MAAM,EAAE,MAAM,2BAA2B,CAAC;AAGnD,OAAO,EAAE,cAAc,EAAE,MAAM,kBAAkB,CAAC;AAClD,OAAO,EAAE,SAAS,EAAE,MAAM,aAAa,CAAC;AAExC,MAAM,UAAU,0BAA0B,CACxC,QAAiB,EACjB,sBAAsB,GAAG,KAAK;IAE9B,MAAM,EAAE,MAAM,EAAE,OAAO,EAAE,GAAG,QAAQ,CAAC,MAAM,CAAC;IAE5C,MAAM,UAAU,GAAG,MAAM,CAAC,MAAM,EAAE,UAAU,EAAE,cAAc,CAAC,CAAC;IAE9D,IAAI,MAAM,GAAG,CAAC,CAAC;IACf,IAAI,OAAO,EAAE,GAAG,EAAE;QAChB,IAAI,OAAO,CAAC,aAAa,IAAI,sBAAsB,EAAE;YACnD,MAAM,GAAG,UAAU,GAAG,CAAC,CAAC,CAAC,CAAC,OAAO,CAAC,GAAG,GAAG,UAAU,CAAC,CAAC,CAAC,CAAC,CAAC;SACxD;aAAM,IAAI,MAAM,EAAE,CAAC,CAAC,CAAC,EAAE;YACtB,MAAM,IAAI,GAAG,MAAM,CAAC,CAAC,CAAC,CAAC;YACvB,MAAM,GAAG,CAAC,IAAI,CAAC,WAAW,IAAI,OAAO,CAAC,GAAG,CAAC,GAAG,IAAI,CAAC,QAAQ,CAAC;SAC5D;KACF;IAED,QAAQ,CAAC,MAAM,CAAC,MAAM,GAAG,SAAS,CAChC,MAAM,EACN,aAAa,EACb,MAAM,EACN,cAAc,CACJ,CAAC;IAEb,IAAI,CAAC,OAAO,CAAC,aAAa,IAAI,CAAC,sBAAsB,EAAE;QACrD,OAAO,CAAC,GAAG,GAAG,MAAM,CAAC,QAAQ,CAAC,MAAM,CAAC,MAAM,EAAE,aAAa,EAAE,cAAc,CAAC,CAAC;KAC7E;AACH,CAAC"}
package/package.json CHANGED
@@ -1,6 +1,6 @@
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  {
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  "name": "nmr-processing",
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- "version": "10.0.1",
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+ "version": "10.0.3-pre.1692096567",
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  "description": "Pure functions allowing to process NMR spectra.",
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  "main": "./lib/index.js",
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  "module": "./lib-esm/index.js",
@@ -80,7 +80,6 @@
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  "ml-spectra-processing": "^12.5.0",
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  "ml-tree-set": "^0.1.1",
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  "nmr-correlation": "^2.3.3",
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- "nmredata": "^0.9.2",
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  "openchemlib-utils": "^4.2.1",
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  "spectrum-generator": "^8.0.8"
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  }
@@ -31,6 +31,10 @@ export function updateIntegralsRelativeValues(
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  ) as Integral[];
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = getSum(values, 'integral', checkIntegralKind);
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+ options.sum = getSum(
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+ spectrum.integrals.values,
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+ 'integral',
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+ checkIntegralKind,
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+ );
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  }
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  }
@@ -31,6 +31,6 @@ export function updateRangesRelativeValues(
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  ) as Range[];
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  if (!options.isSumConstant && !forceCalculateIntegral) {
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- options.sum = getSum(values, 'integration', checkRangeKind);
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+ options.sum = getSum(spectrum.ranges.values, 'integration', checkRangeKind);
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  }
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  }