feat: add baseline and correctedIntegral in ranges

cheminfo · Oct 9, 2024 · 5319de5 · 5319de5
1 parent fc699d5
commit 5319de5
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diff --git a/...ctrum/__tests__/updateRangessInfo.test.js → ...ectrum/__tests__/updateRangesInfo.test.js b/...ctrum/__tests__/updateRangessInfo.test.js → ...ectrum/__tests__/updateRangesInfo.test.js
@@ -30,6 +30,9 @@ describe('updateRangesInfo', () => {
         label: 'A',
         from: 0,
         to: 3,
+        baseline: 4.5,
+        correctedIntegration: 0,
+        deltaX: 3,
         integration: 4.5,
         maxPoint: { x: 3, y: 3, index: 3 },
         minPoint: { x: 0, y: 0, index: 0 },
@@ -40,6 +43,9 @@ describe('updateRangesInfo', () => {
         label: 'B',
         from: 4,
         to: 6,
+        baseline: 8,
+        correctedIntegration: 1,
+        deltaX: 2,
         integration: 9,
         maxPoint: { x: 5, y: 5, index: 5 },
         minPoint: { x: 4, y: 4, index: 4 },

diff --git a/src/spectrum/updateRangesInfo.js b/src/spectrum/updateRangesInfo.js
@@ -19,7 +19,10 @@ export function updateRangesInfo(spectrum, ranges = []) {
       fromIndex: xFindClosestIndex(spectrum.normalized.x, range.from),
       toIndex: xFindClosestIndex(spectrum.normalized.x, range.to),
     };
+    range.deltaX = spectrum.normalized.x[fromToIndex.toIndex] - spectrum.normalized.x[fromToIndex.fromIndex];
+    range.baseline = (spectrum.normalized.y[fromToIndex.toIndex] + spectrum.normalized.y[fromToIndex.fromIndex]) * range.deltaX / 2;
     range.integration = xyIntegration(spectrum.normalized, fromToIndex);
+    range.correctedIntegration = range.integration - range.baseline;
     range.maxPoint = xyMaxYPoint(spectrum.normalized, fromToIndex);
     range.minPoint = xyMinYPoint(spectrum.normalized, fromToIndex);
     range.x = spectrum.normalized.x.slice(