isotopic-distribution - npm Package Compare versions

Comparing version 3.2.1 to 3.2.2

lib/src/IsotopicDistribution.js

@@ -94,3 +94,3 @@ "use strict";
                     y: 1,
-                    composition: this.fwhm === MINIMAL_FWHM ? {} : undefined,
+                    composition: this.fwhm === MINIMAL_FWHM ? {} : undefined, // should we calculate composition in isotopes of each peak
                 },
@@ -97,0 +97,0 @@ ]);

lib/src/IsotopicDistribution.types.d.ts

@@ -21,2 +21,4 @@ import type { IsotopesInfo, PartInfo } from 'mf-parser';
      * Amount of Dalton under which 2 peaks are joined.
+     * If the fwhm is smaller than 1e-8 we will calculate the composition in isotopes for each peak and add the corresponding property.
+     * This allows to annotate the isotopic composition at the level of each peak.
      * @default 0.01
@@ -23,0 +25,0 @@ */

package.json

 {
   "name": "isotopic-distribution",
-  "version": "3.2.1",
+  "version": "3.2.2",
   "description": "Calculate the isotopic distribution of a molecular formula",
@@ -24,4 +24,4 @@ "main": "lib/src/index.js",
     "chemical-elements": "^2.1.1",
-    "mf-parser": "^3.2.1",
-    "mf-utilities": "^3.2.1",
+    "mf-parser": "^3.2.2",
+    "mf-utilities": "^3.2.2",
     "spectrum-generator": "^8.0.11"
@@ -32,3 +32,3 @@ },
   },
-  "gitHead": "838f98a30846d4b1721b8ed7aa94a55e854d7521"
+  "gitHead": "1ac79731e790d4ea1b0b443f4c38bd68c1cc6a86"
 }

src/IsotopicDistribution.js

@@ -100,3 +100,3 @@ import { ELECTRON_MASS } from 'chemical-elements';
           y: 1,
-          composition: this.fwhm === MINIMAL_FWHM ? {} : undefined,
+          composition: this.fwhm === MINIMAL_FWHM ? {} : undefined, // should we calculate composition in isotopes of each peak
         },
@@ -103,0 +103,0 @@ ]);

src/IsotopicDistribution.types.ts

@@ -24,2 +24,4 @@ import type { IsotopesInfo, PartInfo } from 'mf-parser';
    * Amount of Dalton under which 2 peaks are joined.
+   * If the fwhm is smaller than 1e-8 we will calculate the composition in isotopes for each peak and add the corresponding property.
+   * This allows to annotate the isotopic composition at the level of each peak.
    * @default 0.01
@@ -26,0 +28,0 @@ */

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Improved metrics

Total package byte prevSize

96249

increased by0.58%

Lines of code

1688

increased by0.24%

Number of medium supply chain risk alerts

0

decreased by-100%

Dependency changes

• Updatedmf-parser@^3.2.2

• Updatedmf-utilities@^3.2.2