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multiplet-analysis

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multiplet-analysis - npm Package Compare versions

Comparing version 1.0.1 to 2.0.0

16

CHANGELOG.md
# Changelog
## [2.0.0](https://www.github.com/cheminfo/multiplet-analysis/compare/v1.0.1...v2.0.0) (2021-09-01)
### ⚠ BREAKING CHANGES
* refactor j to js for jCouplings (#35)
### Features
* refactor j to js for jCouplings ([#35](https://www.github.com/cheminfo/multiplet-analysis/issues/35)) ([2ba41a1](https://www.github.com/cheminfo/multiplet-analysis/commit/2ba41a139612050e3397c53e5cd10c4974789f06))
### Bug Fixes
* add package description ([58c245f](https://www.github.com/cheminfo/multiplet-analysis/commit/58c245f2568b4967e97c9b2941c7bda6b6f3e319))
### [1.0.1](https://www.github.com/cheminfo/multiplet-analysis/compare/v1.0.0...v1.0.1) (2021-05-13)

@@ -4,0 +20,0 @@

4

lib/index.js

@@ -500,3 +500,3 @@ 'use strict';

let result = {};
result.j = [];
result.js = [];
const maxNumberOfCoupling = 12;

@@ -692,3 +692,3 @@ //option see if cut is good. (should we cut more or interpolate if cut too close to peak - cause artifacts in both cases)

result.j.push({
result.js.push({
multiplicity: 'd',

@@ -695,0 +695,0 @@ coupling: topPosJ * resolutionHz,

{
"name": "multiplet-analysis",
"version": "1.0.1",
"description": "",
"version": "2.0.0",
"description": "Extract coupling constants from a complex NMR multiiplet",
"main": "lib/index.js",

@@ -6,0 +6,0 @@ "module": "src/index.js",

@@ -53,3 +53,3 @@ /**

let result = {};
result.j = [];
result.js = [];
const maxNumberOfCoupling = 12;

@@ -245,3 +245,3 @@ //option see if cut is good. (should we cut more or interpolate if cut too close to peak - cause artifacts in both cases)

result.j.push({
result.js.push({
multiplicity: 'd',

@@ -248,0 +248,0 @@ coupling: topPosJ * resolutionHz,

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