jcampconverter
Advanced tools
Comparing version
{ | ||
"name": "jcampconverter", | ||
"version": "2.0.4", | ||
"version": "2.0.5", | ||
"main": [ | ||
@@ -5,0 +5,0 @@ "dist/jcampconverter.js", |
{ | ||
"name": "jcampconverter", | ||
"version": "2.0.4", | ||
"version": "2.0.5", | ||
"description": "Parse and convert JCAMP data", | ||
@@ -33,2 +33,3 @@ "main": "./src/index.js", | ||
"devDependencies": { | ||
"benchmark": "^1.0.0", | ||
"browserify": "^8.1.3", | ||
@@ -44,6 +45,6 @@ "del": "^1.1.1", | ||
"should": "latest", | ||
"v8-profiler": "^5.2.3", | ||
"vinyl-buffer": "^1.0.0", | ||
"vinyl-source-stream": "^1.0.0", | ||
"benchmark": "^1.0.0" | ||
"vinyl-source-stream": "^1.0.0" | ||
} | ||
} |
# JCAMP converter | ||
[![NPM version][npm-image]][npm-url] | ||
[![build status][travis-image]][travis-url] | ||
[![David deps][david-image]][david-url] | ||
[![npm download][download-image]][download-url] | ||
Parse and convert JCAMP data | ||
## Installation | ||
### Node JS | ||
``` | ||
npm install jcampconverter | ||
``` | ||
`npm install jcampconverter` | ||
### Bower | ||
``` | ||
bower install jcampconverter | ||
``` | ||
`bower install jcampconverter` | ||
## Methods | ||
@@ -30,2 +35,3 @@ | ||
* keepSpectra - Generate array for 2D NMR spectra (default: false) | ||
* keepRecordsRegExp - regexp to select which records should be placed in the info field. By default: :/^[A-Za-z]+$/} | ||
@@ -58,2 +64,3 @@ ### Use as a module | ||
npm install | ||
npm test | ||
npm run build | ||
@@ -70,3 +77,3 @@ ``` | ||
MIT | ||
[MIT](./LICENSE) | ||
@@ -77,1 +84,5 @@ [npm-image]: https://img.shields.io/npm/v/jcampconverter.svg?style=flat-square | ||
[travis-url]: https://travis-ci.org/cheminfo/jcampconverter | ||
[david-image]: https://img.shields.io/david/cheminfo/jcampconverter.svg?style=flat-square | ||
[david-url]: https://david-dm.org/cheminfo/jcampconverter | ||
[download-image]: https://img.shields.io/npm/dm/jcampconverter.svg?style=flat-square | ||
[download-url]: https://npmjs.org/package/jcampconverter |
@@ -28,2 +28,6 @@ 'use strict'; | ||
options = options || {}; | ||
var keepRecordsRegExp=/^[A-Z]+$/; | ||
if (options.keepRecordsRegExp) keepRecordsRegExp=options.keepRecordsRegExp; | ||
var start = new Date(); | ||
@@ -222,3 +226,3 @@ | ||
spectrum[convertMSFieldToLabel(dataLabel)] = dataValue; | ||
} else if (dataLabel.match(/^[A-Z].*/)) { | ||
} else if (dataLabel.match(keepRecordsRegExp)) { | ||
result.info[dataLabel] = dataValue.trim(); | ||
@@ -470,11 +474,10 @@ } | ||
function convertTo3DZ(spectra) { | ||
//console.time('ConvertTo3DZ'); | ||
var z = []; | ||
var noise = 0; | ||
var minZ = spectra[0].data[0][0]; | ||
var maxZ = spectra[0].data[0][0]; | ||
var maxZ = minZ; | ||
var ySize = spectra.length; | ||
var xSize = spectra[0].data[0].length / 2; | ||
var z = new Array(ySize); | ||
for (var i = 0; i < ySize; i++) { | ||
z[i] = []; | ||
z[i] = new Array(xSize); | ||
for (var j = 0; j < xSize; j++) { | ||
@@ -489,3 +492,2 @@ z[i][j] = spectra[i].data[0][j * 2 + 1]; | ||
} | ||
//console.timeEnd('ConvertTo3DZ'); | ||
return { | ||
@@ -496,6 +498,6 @@ z: z, | ||
minY: spectra[0].pageValue, | ||
maxY: spectra[spectra.length - 1].pageValue, | ||
maxY: spectra[ySize - 1].pageValue, | ||
minZ: minZ, | ||
maxZ: maxZ, | ||
noise: noise / ((z.length - 1) * (z[0].length - 1) * 2) | ||
noise: noise / ((ySize - 1) * (xSize - 1) * 2) | ||
}; | ||
@@ -502,0 +504,0 @@ |
Sorry, the diff of this file is not supported yet
Sorry, the diff of this file is not supported yet
Major refactor
Supply chain riskPackage has recently undergone a major refactor. It may be unstable or indicate significant internal changes. Use caution when updating to versions that include significant changes.
Found 1 instance in 1 package
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