chromatography - npm Package Compare versions

Comparing version 3.1.0 to 3.2.0

lib/index.js

@@ -986,2 +986,29 @@ 'use strict';
 
+function percentageFilter(chromatogram, serieName, options = {}) {
+    const {
+        percentage = 0.1
+    } = options;
+
+    var serie = chromatogram.getSerie(serieName);
+    var filtered = [];
+
+    for (var i = 0; i < serie.data.length; i++) {
+        filtered.push(applyFilter$1(serie.data[i], percentage));
+    }
+
+    return serieFromArray(filtered);
+}
+
+function applyFilter$1(serie, percentage) {
+    var basePeak = max(serie[1]);
+    var filtered = [[], []];
+    for (var i = 0; i < serie[0].length; i++) {
+        if (serie[1][i] > percentage * basePeak) {
+            filtered[0].push(serie[0][i]);
+            filtered[1].push(serie[1][i]);
+        }
+    }
+    return filtered;
+}
+
 /**
@@ -1278,2 +1305,18 @@ * Create an object of Chromatogram
     }
+
+    /**
+     * Filter the given serie2D based on the percentage of the highest value
+     * @param {string} serieName
+     * @param {object} [options]
+     * @param {string} [options.serieName = 'msPercentage'] - Name of the new serie
+     * @param {number} [options.percentage = 0.1] - The values under the median times this factor are removed
+     */
+    percentageFilter(serieName, options = {}) {
+        var serie = percentageFilter(this, serieName, options);
+        if (options.serieName) {
+            this.series[options.serieName] = serie;
+        } else {
+            this.series.msPercentage = serie;
+        }
+    }
 }
@@ -1590,3 +1633,2 @@
 exports.vectorify = vectorify;
-exports.cosine = cosine;
 exports.massFilter = massFilter;
@@ -1600,2 +1642,5 @@ exports.spectraComparison = spectraComparison;
 exports.getKovatsRescale = getKovatsRescale;
+exports.cosine = cosine;
+exports.meanFilter = meanFilter;
+exports.percentageFilter = percentageFilter;
 exports.fromJcamp = fromJcamp;
@@ -1602,0 +1647,0 @@ exports.fromJSON = fromJSON;

package.json

 {
   "name": "chromatography",
-  "version": "3.1.0",
+  "version": "3.2.0",
   "description": "Tools for storing, search and analize GC/MS spectra",
@@ -5,0 +5,0 @@ "main": "lib/index.js",

src/Chromatogram.js

@@ -13,3 +13,4 @@ import {rescaleTime} from './rescaleTime';
 import {applyLockMass} from './ms/applyLockMass';
-import {meanFilter} from './ms/meanFilter';
+import {meanFilter} from './filter/meanFilter';
+import {percentageFilter} from './filter/percentageFilter';
 import {toJSON} from './to/json';
@@ -282,2 +283,18 @@ import {getClosestData} from './util/getClosestData';
     }
+
+    /**
+     * Filter the given serie2D based on the percentage of the highest value
+     * @param {string} serieName
+     * @param {object} [options]
+     * @param {string} [options.serieName = 'msPercentage'] - Name of the new serie
+     * @param {number} [options.percentage = 0.1] - The values under the median times this factor are removed
+     */
+    percentageFilter(serieName, options = {}) {
+        var serie = percentageFilter(this, serieName, options);
+        if (options.serieName) {
+            this.series[options.serieName] = serie;
+        } else {
+            this.series.msPercentage = serie;
+        }
+    }
 }
@@ -284,0 +301,0 @@

src/index.js

@@ -5,3 +5,2 @@ export {Chromatogram} from './Chromatogram';
 export {vectorify} from './vectorify';
-export {cosine} from './filter/cosine';
 export {massFilter} from './massFilter';
@@ -16,2 +15,7 @@ export {spectraComparison} from './spectraComparison';
 
+export {cosine} from './ms/cosine';
+
+export {meanFilter} from './filter/meanFilter';
+export {percentageFilter} from './filter/percentageFilter';
+
 export {fromJcamp} from './from/jcamp';
@@ -18,0 +22,0 @@ export {fromJSON} from './from/json';

src/spectraComparison.js

 import {getPeaks} from './util/getPeaks';
 import {massInPeaks} from './massInPeaks';
 import {vectorify} from './vectorify';
-import {cosine} from './filter/cosine';
+import {cosine} from './ms/cosine';
 
@@ -6,0 +6,0 @@ /**

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Improved metrics

Total package byte prevSize

168931

increased by2.86%

Number of package files

70

increased by2.94%

Lines of code

4398

increased by3.24%

No dependency changes