fix: update ml-peak-shape-generator to 4.0.1

Author: jobo322

package.json

@@ -58,28 +58,28 @@
     "trailingComma": "all"
   },
   "devDependencies": {
-    "@types/jest": "^27.0.2",
+    "@types/jest": "^27.0.3",
     "chemcalc": "^3.4.1",
     "cheminfo-build": "^1.1.11",
-    "eslint": "^8.1.0",
-    "eslint-config-cheminfo-typescript": "^10.2.2",
-    "eslint-plugin-jest": "^25.2.4",
+    "eslint": "^8.3.0",
+    "eslint-config-cheminfo-typescript": "^10.2.4",
+    "eslint-plugin-jest": "^25.3.0",
     "esm": "^3.2.25",
     "jest": "^27.3.1",
     "jest-matcher-deep-close-to": "^3.0.2",
     "mf-global": "^1.4.7",
     "ml-stat": "^1.3.3",
-    "nodemon": "^2.0.14",
-    "prettier": "^2.4.1",
+    "nodemon": "^2.0.15",
+    "prettier": "^2.5.0",
     "rimraf": "^3.0.2",
-    "spectrum-generator": "^6.0.1",
+    "spectrum-generator": "^6.0.2",
     "ts-jest": "^27.0.7",
-    "typescript": "^4.4.4",
-    "xy-parser": "^3.2.0"
+    "typescript": "^4.5.2",
+    "xy-parser": "^4.0.0"
   },
   "dependencies": {
     "cheminfo-types": "^0.8.0",
-    "ml-peak-shape-generator": "^3.0.3",
+    "ml-peak-shape-generator": "^4.0.1",
     "ml-savitzky-golay-generalized": "2.0.3",
     "ml-spectra-fitting": "^3.0.1",
     "ml-spectra-processing": "^6.8.0"

src/__tests__/ubiquitin.test.ts

@@ -10,14 +10,11 @@ import { gsd } from '../gsd';
 
 describe('Global spectra deconvolution ubiquitin', () => {
   it('HR mass spectra', () => {
-    let spectrum: DataXY = parseXY(
+    let spectrum = parseXY(
       readFileSync(`${__dirname}/data/ubiquitin.txt`, 'utf-8'),
-    );
-    // var d = new Date();
-    // var n = d.getTime();
-    // var spectrum=parser.parse(fs.readFileSync('./ubiquitin.txt', 'utf-8'), {arrayType: 'xxyy'});
-    // d = new Date();
-    // console.log("Parsing time: "+(d.getTime()-n));
+      { keepInfo: false }
+    ) as DataXY;
+
     let noiseLevel = 0; // Stat.array.max(spectrum[1])*0.015;
 
     let result = gsd(spectrum, {