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nmr-simulation

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nmr-simulation - npm Package Compare versions

Comparing version 0.0.1 to 0.0.2

2

package.json
{
"name": "nmr-simulation",
"version": "0.0.1",
"version": "0.0.2",
"description": "Simulate NMR spectra from spin systems",

@@ -5,0 +5,0 @@ "main": "src/index.js",

@@ -148,3 +148,3 @@ 'use strict';

let count = 1;
for (i = 0; i < numFreq; i++) {
for (i = 1; i < numFreq; i++) {
if (Math.abs(frequencies[i] - valFreq / count) < diff) {

@@ -151,0 +151,0 @@ inte += intensities[i];

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