fix: autoRanges detection for HR spectra

Not sure this is optimal and those parameters may still evolve
cheminfo · Feb 3, 2022 · bc9f475 · bc9f475
1 parent 7d49943
commit bc9f475
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Showing 2 changed files with 7 additions and 2 deletions.
diff --git a/package.json b/package.json
@@ -17,7 +17,7 @@
     "check-types": "tsc --noEmit",
     "compile": "tsc --project tsconfig.esm.json && tsc --project tsconfig.cjs.json",
     "clean-lib": "rimraf lib lib-cjs",
-    "dev": "vite --host localhost --port 3000 --strictPort --open",
+    "dev": "vite --host localhost --port 4000 --strictPort --open",
     "eslint": "eslint . --cache",
     "eslint-fix": "npm run eslint -- --fix",
     "install:clean": "rm -rf node_modules/ && rm -rf package-lock.json && npm install && npm start",

diff --git a/src/data/data1d/Spectrum1D/ranges/autoRangesDetection.ts b/src/data/data1d/Spectrum1D/ranges/autoRangesDetection.ts
@@ -44,12 +44,17 @@ export default function autoRangesDetection(
   }
 
   if (originFrequency) {
-    let ws = Math.max(Math.round(1 / originFrequency / (x[1] - x[0])), 5);
+    // we calculate the number of points per Hz
+    let pointsPerHz = 1 / originFrequency / (x[1] - x[0]);
+    // we can consider a peak with of 0.5 Hz for the windowSize
+    let ws = Math.max(Math.round(pointsPerHz / 2), 5);
     peakPickingOptions.sgOptions = {
       windowSize: ws - (ws % 2) + 1,
       polynomial: 3,
     };
   }
+  peakPickingOptions.smoothY = undefined;
+  peakPickingOptions.sgOptions = undefined;
 
   const ranges = xyAutoRangesPicking(
     { x, y: re },