jcampconverter 8.2.2 → 8.2.5

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Files changed (140) hide show
  1. package/lib/2d/add2D.d.ts +2 -0
  2. package/lib/2d/add2D.d.ts.map +1 -0
  3. package/lib/2d/add2D.js +17 -0
  4. package/lib/2d/add2D.js.map +1 -0
  5. package/lib/2d/convertTo3DZ.d.ts +11 -0
  6. package/lib/2d/convertTo3DZ.d.ts.map +1 -0
  7. package/lib/2d/convertTo3DZ.js +59 -0
  8. package/lib/2d/convertTo3DZ.js.map +1 -0
  9. package/lib/2d/generateContourLines.d.ts +8 -0
  10. package/lib/2d/generateContourLines.d.ts.map +1 -0
  11. package/lib/2d/generateContourLines.js +163 -0
  12. package/lib/2d/generateContourLines.js.map +1 -0
  13. package/lib/complexChromatogram.d.ts +4 -0
  14. package/lib/complexChromatogram.d.ts.map +1 -0
  15. package/lib/complexChromatogram.js +49 -0
  16. package/lib/complexChromatogram.js.map +1 -0
  17. package/lib/convert.d.ts +147 -0
  18. package/lib/convert.d.ts.map +1 -0
  19. package/lib/convert.js +391 -0
  20. package/lib/convert.js.map +1 -0
  21. package/lib/convertToFloatArray.d.ts +2 -0
  22. package/lib/convertToFloatArray.d.ts.map +1 -0
  23. package/lib/convertToFloatArray.js +11 -0
  24. package/lib/convertToFloatArray.js.map +1 -0
  25. package/lib/createTree.d.ts +29 -0
  26. package/lib/createTree.d.ts.map +1 -0
  27. package/lib/createTree.js +98 -0
  28. package/lib/createTree.js.map +1 -0
  29. package/lib/index.d.ts +3 -0
  30. package/lib/index.d.ts.map +1 -0
  31. package/lib/index.js +8 -1214
  32. package/lib/index.js.map +1 -0
  33. package/lib/parse/fastParseXYData.d.ts +2 -0
  34. package/lib/parse/fastParseXYData.d.ts.map +1 -0
  35. package/lib/parse/fastParseXYData.js +192 -0
  36. package/lib/parse/fastParseXYData.js.map +1 -0
  37. package/lib/parse/parsePeakTable.d.ts +2 -0
  38. package/lib/parse/parsePeakTable.d.ts.map +1 -0
  39. package/lib/parse/parsePeakTable.js +67 -0
  40. package/lib/parse/parsePeakTable.js.map +1 -0
  41. package/lib/parse/parseXYA.d.ts +2 -0
  42. package/lib/parse/parseXYA.d.ts.map +1 -0
  43. package/lib/parse/parseXYA.js +17 -0
  44. package/lib/parse/parseXYA.js.map +1 -0
  45. package/lib/postProcessing.d.ts +2 -0
  46. package/lib/postProcessing.d.ts.map +1 -0
  47. package/lib/postProcessing.js +50 -0
  48. package/lib/postProcessing.js.map +1 -0
  49. package/lib/postProcessingNMR.d.ts +2 -0
  50. package/lib/postProcessingNMR.d.ts.map +1 -0
  51. package/lib/postProcessingNMR.js +94 -0
  52. package/lib/postProcessingNMR.js.map +1 -0
  53. package/lib/prepareNtuplesDatatable.d.ts +2 -0
  54. package/lib/prepareNtuplesDatatable.d.ts.map +1 -0
  55. package/lib/prepareNtuplesDatatable.js +87 -0
  56. package/lib/prepareNtuplesDatatable.js.map +1 -0
  57. package/lib/prepareSpectrum.d.ts +2 -0
  58. package/lib/prepareSpectrum.d.ts.map +1 -0
  59. package/lib/prepareSpectrum.js +10 -0
  60. package/lib/prepareSpectrum.js.map +1 -0
  61. package/lib/profiling.d.ts +2 -0
  62. package/lib/profiling.d.ts.map +1 -0
  63. package/lib/profiling.js +12 -0
  64. package/lib/profiling.js.map +1 -0
  65. package/lib/simpleChromatogram.d.ts +2 -0
  66. package/lib/simpleChromatogram.d.ts.map +1 -0
  67. package/lib/simpleChromatogram.js +16 -0
  68. package/lib/simpleChromatogram.js.map +1 -0
  69. package/lib-esm/2d/add2D.d.ts +2 -0
  70. package/lib-esm/2d/add2D.d.ts.map +1 -0
  71. package/lib-esm/2d/add2D.js +11 -0
  72. package/lib-esm/2d/add2D.js.map +1 -0
  73. package/lib-esm/2d/convertTo3DZ.d.ts +11 -0
  74. package/lib-esm/2d/convertTo3DZ.d.ts.map +1 -0
  75. package/lib-esm/2d/convertTo3DZ.js +53 -0
  76. package/lib-esm/2d/convertTo3DZ.js.map +1 -0
  77. package/lib-esm/2d/generateContourLines.d.ts +8 -0
  78. package/lib-esm/2d/generateContourLines.d.ts.map +1 -0
  79. package/lib-esm/2d/generateContourLines.js +160 -0
  80. package/lib-esm/2d/generateContourLines.js.map +1 -0
  81. package/lib-esm/complexChromatogram.d.ts +4 -0
  82. package/lib-esm/complexChromatogram.d.ts.map +1 -0
  83. package/lib-esm/complexChromatogram.js +43 -0
  84. package/lib-esm/complexChromatogram.js.map +1 -0
  85. package/lib-esm/convert.d.ts +147 -0
  86. package/lib-esm/convert.d.ts.map +1 -0
  87. package/lib-esm/convert.js +384 -0
  88. package/lib-esm/convert.js.map +1 -0
  89. package/lib-esm/convertToFloatArray.d.ts +2 -0
  90. package/lib-esm/convertToFloatArray.d.ts.map +1 -0
  91. package/lib-esm/convertToFloatArray.js +8 -0
  92. package/lib-esm/convertToFloatArray.js.map +1 -0
  93. package/lib-esm/createTree.d.ts +29 -0
  94. package/lib-esm/createTree.d.ts.map +1 -0
  95. package/lib-esm/createTree.js +94 -0
  96. package/lib-esm/createTree.js.map +1 -0
  97. package/lib-esm/index.d.ts +3 -0
  98. package/lib-esm/index.d.ts.map +1 -0
  99. package/lib-esm/index.js +3 -0
  100. package/lib-esm/index.js.map +1 -0
  101. package/lib-esm/parse/fastParseXYData.d.ts +2 -0
  102. package/lib-esm/parse/fastParseXYData.d.ts.map +1 -0
  103. package/lib-esm/parse/fastParseXYData.js +189 -0
  104. package/lib-esm/parse/fastParseXYData.js.map +1 -0
  105. package/lib-esm/parse/parsePeakTable.d.ts +2 -0
  106. package/lib-esm/parse/parsePeakTable.d.ts.map +1 -0
  107. package/lib-esm/parse/parsePeakTable.js +64 -0
  108. package/lib-esm/parse/parsePeakTable.js.map +1 -0
  109. package/lib-esm/parse/parseXYA.d.ts +2 -0
  110. package/lib-esm/parse/parseXYA.d.ts.map +1 -0
  111. package/lib-esm/parse/parseXYA.js +14 -0
  112. package/lib-esm/parse/parseXYA.js.map +1 -0
  113. package/lib-esm/postProcessing.d.ts +2 -0
  114. package/lib-esm/postProcessing.d.ts.map +1 -0
  115. package/lib-esm/postProcessing.js +44 -0
  116. package/lib-esm/postProcessing.js.map +1 -0
  117. package/lib-esm/postProcessingNMR.d.ts +2 -0
  118. package/lib-esm/postProcessingNMR.d.ts.map +1 -0
  119. package/lib-esm/postProcessingNMR.js +91 -0
  120. package/lib-esm/postProcessingNMR.js.map +1 -0
  121. package/lib-esm/prepareNtuplesDatatable.d.ts +2 -0
  122. package/lib-esm/prepareNtuplesDatatable.d.ts.map +1 -0
  123. package/lib-esm/prepareNtuplesDatatable.js +84 -0
  124. package/lib-esm/prepareNtuplesDatatable.js.map +1 -0
  125. package/lib-esm/prepareSpectrum.d.ts +2 -0
  126. package/lib-esm/prepareSpectrum.d.ts.map +1 -0
  127. package/lib-esm/prepareSpectrum.js +7 -0
  128. package/lib-esm/prepareSpectrum.js.map +1 -0
  129. package/lib-esm/profiling.d.ts +2 -0
  130. package/lib-esm/profiling.d.ts.map +1 -0
  131. package/lib-esm/profiling.js +9 -0
  132. package/lib-esm/profiling.js.map +1 -0
  133. package/lib-esm/simpleChromatogram.d.ts +2 -0
  134. package/lib-esm/simpleChromatogram.d.ts.map +1 -0
  135. package/lib-esm/simpleChromatogram.js +13 -0
  136. package/lib-esm/simpleChromatogram.js.map +1 -0
  137. package/package.json +23 -18
  138. package/src/convert.js +72 -19
  139. package/src/createTree.js +16 -3
  140. package/CHANGELOG.md +0 -427
package/package.json CHANGED
@@ -1,12 +1,14 @@
1
1
  {
2
2
  "name": "jcampconverter",
3
- "version": "8.2.2",
3
+ "version": "8.2.5",
4
4
  "description": "Parse and convert JCAMP data",
5
5
  "main": "lib/index.js",
6
- "module": "src/index.js",
6
+ "module": "lib-esm/index.js",
7
+ "types": "lib/index.d.ts",
7
8
  "files": [
8
9
  "lib",
9
- "src"
10
+ "src",
11
+ "lib-esm"
10
12
  ],
11
13
  "prettier": {
12
14
  "arrowParens": "always",
@@ -17,15 +19,20 @@
17
19
  },
18
20
  "scripts": {
19
21
  "build": "cheminfo-build --entry src/index.js --root JcampConverter",
22
+ "check-types": "tsc --noEmit",
23
+ "clean": "rimraf lib lib-esm",
20
24
  "eslint": "eslint src __tests__",
21
25
  "eslint-fix": "npm run eslint -- --fix",
22
26
  "jscpd": "jscpd -l 10 -i \"**/__tests__/**\" -t 1 src",
23
- "prepack": "rollup -c",
27
+ "prepack": "npm run tsc",
24
28
  "prettier": "prettier --check src",
25
29
  "prettier-write": "prettier --write src",
26
- "test": "npm run test-coverage && npm run eslint && npm run prettier",
30
+ "test": "npm run test-coverage && npm run eslint && npm run prettier && npm run check-types",
27
31
  "test-coverage": "jest --coverage",
28
32
  "test-only": "jest",
33
+ "tsc": "npm run clean && npm run tsc-cjs && npm run tsc-esm",
34
+ "tsc-cjs": "tsc --project tsconfig.cjs.json",
35
+ "tsc-esm": "tsc --project tsconfig.esm.json",
29
36
  "benchmark": "node benchmark/benchmark.js",
30
37
  "deopt": "node --trace-opt --trace-deopt --code-comments debug/deoptimize.js > deopt.log",
31
38
  "hydra": "node --trace-hydrogen --trace-phase=Z --trace-deopt --code-comments --hydrogen-track-positions --redirect-code-traces --redirect-code-traces-to=code.asm debug/deoptimize.js"
@@ -44,27 +51,25 @@
44
51
  "url": "https://github.com/cheminfo/jcampconverter/issues"
45
52
  },
46
53
  "homepage": "https://github.com/cheminfo/jcampconverter#readme",
47
- "jest": {
48
- "testEnvironment": "node"
49
- },
50
54
  "devDependencies": {
51
- "@babel/plugin-transform-modules-commonjs": "^7.16.0",
52
- "@types/jest": "^27.0.2",
55
+ "@types/jest": "^27.4.1",
53
56
  "benchmark": "^2.1.4",
54
57
  "cheminfo-build": "^1.1.11",
55
- "eslint": "^8.1.0",
56
- "eslint-config-cheminfo": "^7.2.0",
58
+ "eslint": "^8.9.0",
59
+ "eslint-config-cheminfo-typescript": "^10.3.0",
57
60
  "esm": "^3.2.25",
58
- "jest": "^27.3.1",
61
+ "jest": "^27.5.1",
59
62
  "jest-matcher-deep-close-to": "^3.0.2",
60
- "jscpd": "^3.3.26",
61
- "prettier": "^2.4.1",
62
- "rollup": "^2.59.0"
63
+ "jscpd": "^3.4.5",
64
+ "prettier": "^2.5.1",
65
+ "rimraf": "^3.0.2",
66
+ "ts-jest": "^27.1.3",
67
+ "typescript": "^4.5.5"
63
68
  },
64
69
  "dependencies": {
65
70
  "dynamic-typing": "^0.1.3",
66
71
  "ensure-string": "^1.1.0",
67
- "ml-array-median": "^1.1.5",
68
- "nmr-processing": "^3.4.0"
72
+ "ml-array-median": "^1.1.6",
73
+ "nmr-processing": "^7.0.1"
69
74
  }
70
75
  }
package/src/convert.js CHANGED
@@ -14,8 +14,6 @@ import profiling from './profiling';
14
14
  // the following RegExp can only be used for XYdata, some peakTables have values with a "E-5" ...
15
15
  const ntuplesSeparatorRegExp = /[ \t]*,[ \t]*/;
16
16
 
17
- class Spectrum {}
18
-
19
17
  const defaultOptions = {
20
18
  keepRecordsRegExp: /^$/,
21
19
  canonicDataLabels: true,
@@ -30,23 +28,78 @@ const defaultOptions = {
30
28
  profiling: false,
31
29
  };
32
30
 
31
+ /**
32
+ *
33
+ * @typedef {object} ConvertOptions
34
+ * @property {RegExp} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
35
+ * @property {boolean} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
36
+ * @property {boolean} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
37
+ * @property {boolean} [options.dynamicTyping=false] - Convert numbers to Number.
38
+ * @property {boolean} [options.withoutXY=false] - Remove the XY data.
39
+ * @property {boolean} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
40
+ * @property {boolean} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
41
+ * @property {boolean} [options.noContour=false] - Don't calculate countour in case of 2D.
42
+ * @property {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
43
+ * @property {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
44
+ * @property {boolean} [options.profiling=false] - Add profiling information.
45
+ */
46
+
47
+ /**
48
+ *
49
+ * @typedef {object} Ntuples
50
+ * @property {string[]} [varname]
51
+ * @property {string[]} [symbol]
52
+ * @property {string[]} [vartype]
53
+ * @property {string[]} [varform]
54
+ * @property {number[]} [vardim]
55
+ * @property {string[]} [units]
56
+ * @property {number[]} [factor]
57
+ * @property {number[]} [first]
58
+ * @property {number[]} [last]
59
+ * @property {number[]} [min]
60
+ * @property {number[]} [max]
61
+ * @property {string[]} [nucleus]
62
+ */
63
+
64
+ /**
65
+ * @typedef { Record<string, any> } Spectrum
66
+ * @property {Record<string, number[]>} [data]
67
+ * @property {number} [firstX]
68
+ * @property {number} [lastX]
69
+ * @property {number} [deltaX]
70
+ * @property {number} [yFactor]
71
+ * @property {number} [xFactor]
72
+ * @property {number} [nbPoints]
73
+ */
74
+
75
+ /**
76
+ *
77
+ * @typedef {object} Entry
78
+ * @property {Spectrum[]} spectra
79
+ * @property {Ntuples} ntuples
80
+ * @property {object} meta
81
+ * @property {object} tmp
82
+ * @property {string} [title]
83
+ * @property {string} [dataType]
84
+ * @property {string} [dataClass]
85
+ * @property {boolean} [twoD]
86
+ */
87
+
88
+ /**
89
+ *
90
+ * @typedef { object } ConvertResult
91
+ * @property { object[] | boolean } profiling
92
+ * @property { string[] } logs
93
+ * @property { object[] } entries
94
+ * @property { Entry[] } flatten
95
+ */
96
+
33
97
  /**
34
98
  * Parse a jcamp.
35
99
  *
36
100
  * @param {string|ArrayBuffer|Uint8Array} jcamp
37
- * @param {object} [options]
38
- * @param {number} [options.keepRecordsRegExp=/^$/] - By default we don't keep meta information.
39
- * @param {number} [options.canonicDataLabels=true] - Canonize the Labels (uppercase without symbol).
40
- * @param {number} [options.canonicMetadataLabels=false] - Canonize the metadata Labels (uppercase without symbol).
41
- * @param {number} [options.dynamicTyping=false] - Convert numbers to Number.
42
- * @param {number} [options.withoutXY=false] - Remove the XY data.
43
- * @param {number} [options.chromatogram=false] - Special post-processing for GC / HPLC / MS.
44
- * @param {number} [options.keepSpectra=false] - Force to keep the spectra in case of 2D.
45
- * @param {number} [options.noContour=false] - Don't calculate countour in case of 2D.
46
- * @param {number} [options.nbContourLevels=7] - Number of positive / negative contour levels to calculate.
47
- * @param {number} [options.noiseMultiplier=5] - Define for 2D the level as 5 times the median as default.
48
- * @param {number} [options.profiling=false] - Add profiling information.
49
- * @returns {object}
101
+ * @param {ConvertOptions} [options]
102
+ * @returns {ConvertResult}
50
103
  */
51
104
 
52
105
  export function convert(jcamp, options = {}) {
@@ -67,7 +120,7 @@ export function convert(jcamp, options = {}) {
67
120
  let currentEntry = tmpResult;
68
121
  let parentsStack = [];
69
122
 
70
- let spectrum = new Spectrum();
123
+ let spectrum = {};
71
124
 
72
125
  if (typeof jcamp !== 'string') {
73
126
  throw new TypeError('the JCAMP should be a string');
@@ -127,7 +180,7 @@ export function convert(jcamp, options = {}) {
127
180
  parsePeakTable(spectrum, dataValue, result);
128
181
  }
129
182
  currentEntry.spectra.push(spectrum);
130
- spectrum = new Spectrum();
183
+ spectrum = {};
131
184
  }
132
185
  continue;
133
186
  } else if (canonicDataLabel === 'PEAKTABLE') {
@@ -135,7 +188,7 @@ export function convert(jcamp, options = {}) {
135
188
  prepareSpectrum(spectrum);
136
189
  parsePeakTable(spectrum, dataValue, result);
137
190
  currentEntry.spectra.push(spectrum);
138
- spectrum = new Spectrum();
191
+ spectrum = {};
139
192
  }
140
193
  continue;
141
194
  }
@@ -146,7 +199,7 @@ export function convert(jcamp, options = {}) {
146
199
  parseXYA(spectrum, dataValue);
147
200
  }
148
201
  currentEntry.spectra.push(spectrum);
149
- spectrum = new Spectrum();
202
+ spectrum = {};
150
203
  }
151
204
  continue;
152
205
  }
package/src/createTree.js CHANGED
@@ -1,12 +1,25 @@
1
1
  import { ensureString } from 'ensure-string';
2
2
 
3
+ /**
4
+ *
5
+ * @typedef {object} CreateTreeOptions
6
+ * @property {boolean} [flatten=false]
7
+ */
8
+
9
+ /**
10
+ *
11
+ * @typedef {object} Tree
12
+ * @property {string} title
13
+ * @property {string} jcamp
14
+ * @property {Tree[]} [children]
15
+ */
16
+
3
17
  /**
4
18
  * Parse the jcamp to extract the structure as a tree.
5
19
  *
6
20
  * @param {string|ArrayBuffer|Uint8Array} jcamp
7
- * @param {object} [options={}]
8
- * @param {boolean} [options.flatten=false]
9
- * @returns
21
+ * @param {CreateTreeOptions} [options={}]
22
+ * @returns {Tree[]}
10
23
  */
11
24
  export function createTree(jcamp, options = {}) {
12
25
  jcamp = ensureString(jcamp);
package/CHANGELOG.md DELETED
@@ -1,427 +0,0 @@
1
- # Changelog
2
-
3
- ### [8.2.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.2.1...v8.2.2) (2021-11-05)
4
-
5
-
6
- ### Bug Fixes
7
-
8
- * replace parseFloat by Number ([e65c194](https://www.github.com/cheminfo/jcampconverter/commit/e65c19483e8c429d73e540614e7e020cdd660e0b))
9
-
10
- ### [8.2.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.2.0...v8.2.1) (2021-09-30)
11
-
12
-
13
- ### Bug Fixes
14
-
15
- * ensure compatibility with node 12 ([c5c68cc](https://www.github.com/cheminfo/jcampconverter/commit/c5c68cc9de6330088f7c838573369c280ba68ff6))
16
- * update nmr-processing library ([0732b3a](https://www.github.com/cheminfo/jcampconverter/commit/0732b3a44fd9bd92a721f6694bb98e46d12ea7bd))
17
-
18
- ## [8.2.0](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.5...v8.2.0) (2021-09-07)
19
-
20
-
21
- ### Features
22
-
23
- * use dynamic-typing package and parse hexadecimal values ([0b584f3](https://www.github.com/cheminfo/jcampconverter/commit/0b584f37b3b5dadbcb9b77ec40124ef5cb0a0af7))
24
-
25
- ### [8.1.5](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.4...v8.1.5) (2021-07-29)
26
-
27
-
28
- ### Bug Fixes
29
-
30
- * update dependencies ([602f123](https://www.github.com/cheminfo/jcampconverter/commit/602f123e8b0053e5b53bbbcf032122ce1ed82f0d))
31
-
32
- ### [8.1.4](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.3...v8.1.4) (2021-07-12)
33
-
34
-
35
- ### Bug Fixes
36
-
37
- * reelase for Zenodo DOI ([973ed64](https://www.github.com/cheminfo/jcampconverter/commit/973ed64d3be6fb1ec1c4830a791b9ee901479f67))
38
-
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- ### [8.1.3](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.2...v8.1.3) (2021-06-18)
40
-
41
-
42
- ### Bug Fixes
43
-
44
- * prevent isNaN with dynamicTyping ([c171dcf](https://www.github.com/cheminfo/jcampconverter/commit/c171dcf0c1f9891bf85435c6693aec9c54a98c01))
45
-
46
- ### [8.1.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.1...v8.1.2) (2021-05-27)
47
-
48
-
49
- ### Bug Fixes
50
-
51
- * more selective to generate 2D ([ee81f1f](https://www.github.com/cheminfo/jcampconverter/commit/ee81f1f2be91411c2dd8f9324c19405aa582b7c9))
52
-
53
- ### [8.1.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.1.0...v8.1.1) (2021-05-06)
54
-
55
-
56
- ### Bug Fixes
57
-
58
- * bug in linked spectra and reference ([ec63494](https://www.github.com/cheminfo/jcampconverter/commit/ec63494433b865dc3ed7589763d32afbbc1d2c60))
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-
60
- ## [8.1.0](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.2...v8.1.0) (2021-05-05)
61
-
62
-
63
- ### Features
64
-
65
- * remove the cheminfo hack that was parsing cheminfo meta ([1fe8dd5](https://www.github.com/cheminfo/jcampconverter/commit/1fe8dd51c97a98c65818c4f4af712d6c377969e0))
66
-
67
- ### [8.0.2](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.1...v8.0.2) (2021-04-28)
68
-
69
-
70
- ### Bug Fixes
71
-
72
- * update ensure-text library ([fbda58e](https://www.github.com/cheminfo/jcampconverter/commit/fbda58eee6fc127141930e9c160b468ddeedf23b))
73
-
74
- ### [8.0.1](https://www.github.com/cheminfo/jcampconverter/compare/v8.0.0...v8.0.1) (2021-04-28)
75
-
76
-
77
- ### Bug Fixes
78
-
79
- * noesy without nucleus ([eb9a7b7](https://www.github.com/cheminfo/jcampconverter/commit/eb9a7b7faf13dfa52e1c78b7ec638efcf18ee364))
80
-
81
- ## [8.0.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.10.0...v8.0.0) (2021-04-27)
82
-
83
-
84
- ### ⚠ BREAKING CHANGES
85
-
86
- * matrix for node CI 12, 14 and 16 and remove node 10 support
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-
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- ### Features
89
-
90
- * jcamp may also be an ArrayBuffer and not only a string ([58b2a38](https://www.github.com/cheminfo/jcampconverter/commit/58b2a3813b8b368d4f72f13f65f086b1f321ce43))
91
-
92
- ## [7.10.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.9.0...v7.10.0) (2021-04-27)
93
-
94
-
95
- ### Features
96
-
97
- * If ##$cheminfo LDR, parsed the value as a JSON ([2c65658](https://www.github.com/cheminfo/jcampconverter/commit/2c65658331103f4552ffa7def310e695911424c3))
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-
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- ## [7.8.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.7.0...v7.8.0) (2021-03-24)
100
-
101
- ### Features
102
-
103
- * improve 2D noise detection by using the full 2D spectrum ([7607af3](https://www.github.com/cheminfo/jcampconverter/commit/7607af3940945d9e794bf926a09e2e90b4d9efdf))
104
-
105
-
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- ### Bug Fixes
107
-
108
- * update dependencies and readme ([65d11ec](https://www.github.com/cheminfo/jcampconverter/commit/65d11eca3b79ff84f28a0e48e7270fbc24242ae1))
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-
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- ## [7.7.0](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.6...v7.7.0) (2021-02-10)
111
-
112
-
113
- ### Features
114
-
115
- * ignore deltaX and calculate firstX-lastX / npoints ([8aff051](https://www.github.com/cheminfo/jcampconverter/commit/8aff051d7c095933e0f01ae171801a871a1e27cf))
116
-
117
- ### [7.6.6](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.5...v7.6.6) (2021-01-18)
118
-
119
-
120
- ### Bug Fixes
121
-
122
- * deal with 2D jcamp without all .nucleus ([3cf7cc0](https://www.github.com/cheminfo/jcampconverter/commit/3cf7cc0907866505f430f4cf359d3b6e0f711878))
123
-
124
- ### [7.6.5](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.4...v7.6.5) (2020-10-27)
125
-
126
-
127
- ### Bug Fixes
128
-
129
- * correct dynamic typing ([bdd061f](https://www.github.com/cheminfo/jcampconverter/commit/bdd061ff2fc2c905122ba0bb677891b47265c527))
130
-
131
- ### [7.6.4](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.3...v7.6.4) (2020-10-27)
132
-
133
-
134
- ### Bug Fixes
135
-
136
- * nmr-processing dependency ([797bc76](https://www.github.com/cheminfo/jcampconverter/commit/797bc767cc129ec6bdf16f74635cd2bd6fc28a41))
137
-
138
- ### [7.6.3](https://www.github.com/cheminfo/jcampconverter/compare/v7.6.2...v7.6.3) (2020-10-14)
139
-
140
-
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- ### Bug Fixes
142
-
143
- * remove worker from documentation ([9c47fe3](https://www.github.com/cheminfo/jcampconverter/commit/9c47fe31a7d3944fb17c01677f6e58be679cc474))
144
-
145
- ### [7.6.2](https://github.com/cheminfo/jcampconverter/compare/v7.6.1...v7.6.2) (2020-10-14)
146
-
147
- ## [7.3.1](https://github.com/cheminfo/jcampconverter/compare/v7.2.0...v7.3.1) (2020-06-24)
148
-
149
-
150
- ### Bug Fixes
151
-
152
- * variables has always lowercase property ([32bc505](https://github.com/cheminfo/jcampconverter/commit/32bc505c61645430270b2a0eb09e7bff01460bf6))
153
-
154
-
155
- ### Features
156
-
157
- * add data in variables ([dcd2966](https://github.com/cheminfo/jcampconverter/commit/dcd2966ed0de32e6e63207593c1a52bdc5986e49))
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- * apply NMR conversion to ppm as a postProcessing process ([dcd0ea9](https://github.com/cheminfo/jcampconverter/commit/dcd0ea96b63241afb11ffc5dea779571c4e4650b))
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-
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- # [7.2.0](https://github.com/cheminfo/jcampconverter/compare/v7.1.0...v7.2.0) (2020-06-20)
163
-
164
-
165
- ### Features
166
-
167
- * change xUnits for ntuples to add varname + unit ([92eae09](https://github.com/cheminfo/jcampconverter/commit/92eae094aedaf911a5437c8578a76679d6bb3ae9))
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-
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-
171
- # [7.1.0](https://github.com/cheminfo/jcampconverter/compare/v7.0.0...v7.1.0) (2020-06-11)
172
-
173
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- ### Bug Fixes
175
-
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- * rename xUnit and yUnit to xUnits and yUnits ([d50c6fe](https://github.com/cheminfo/jcampconverter/commit/d50c6feb0db96e2bd10bdae70b6fead0b30ea1c3))
177
-
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-
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- ### BREAKING CHANGES
180
-
181
- * In the returned value the variables has been
182
- renamed to xUnits and yUnits to keep the LDR of
183
- the jcamp
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-
185
-
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-
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- # [7.0.0](https://github.com/cheminfo/jcampconverter/compare/v6.0.1...v7.0.0) (2020-06-11)
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-
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-
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-
191
- ## [6.0.1](https://github.com/cheminfo/jcampconverter/compare/v6.0.0...v6.0.1) (2020-06-10)
192
-
193
-
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- ### Bug Fixes
195
-
196
- * improve 2d spectra discovery ([5a7c15a](https://github.com/cheminfo/jcampconverter/commit/5a7c15afbadb133d3ecb89d5e816354c0d207441))
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- * improve detection of 2d spectra ([02e966f](https://github.com/cheminfo/jcampconverter/commit/02e966f108578578fe717d259b16a7c933a0db44))
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- * ntuples separator must contain a comma ([3bbf182](https://github.com/cheminfo/jcampconverter/commit/3bbf1829acffeeed4a888fd502afdd6637d070b8))
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-
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-
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-
202
- # [6.0.0](https://github.com/cheminfo/jcampconverter/compare/v5.0.2...v6.0.0) (2020-06-10)
203
-
204
-
205
- ### Features
206
-
207
- * add parsing of multivariable NTUPLE PEAKS ([872a43f](https://github.com/cheminfo/jcampconverter/commit/872a43fa9867b84247138bd939cd455c386e7e46))
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-
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-
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-
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- ## [5.0.2](https://github.com/cheminfo/jcampconverter/compare/v5.0.1...v5.0.2) (2020-04-08)
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-
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-
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-
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- ## [5.0.1](https://github.com/cheminfo/jcampconverter/compare/v5.0.0...v5.0.1) (2020-04-04)
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-
217
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- ### Bug Fixes
219
-
220
- * 2d matrix minX / maxX ([447606d](https://github.com/cheminfo/jcampconverter/commit/447606df8a952d3c19dec3306d8aa2f09ee402b0))
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-
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-
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-
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- # [5.0.0](https://github.com/cheminfo/jcampconverter/compare/v4.1.1...v5.0.0) (2020-04-04)
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-
226
-
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- ### Bug Fixes
228
-
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- * rollup and build ([eef5d66](https://github.com/cheminfo/jcampconverter/commit/eef5d66dbeccdfd907dc86ce1cd8aa1429a544f3))
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-
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-
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-
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- ## [4.1.1](https://github.com/cheminfo/jcampconverter/compare/v4.1.0...v4.1.1) (2020-04-02)
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-
235
-
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- ### Bug Fixes
237
-
238
- * allow jcamp with no data ([4365d79](https://github.com/cheminfo/jcampconverter/commit/4365d79b16fa6f1651e6a2d4a1626107d0072e8a))
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-
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-
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-
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- ## [2.10.2](https://github.com/cheminfo/jcampconverter/compare/v2.10.1...v2.10.2) (2018-11-23)
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-
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- <a name="2.9.1"></a>
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- ## [2.9.1](https://github.com/cheminfo/jcampconverter/compare/v2.9.0...v2.9.1) (2017-10-19)
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-
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-
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-
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- <a name="2.9.0"></a>
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- # [2.9.0](https://github.com/cheminfo/jcampconverter/compare/v2.8.0...v2.9.0) (2017-09-13)
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-
254
-
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- ### Features
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-
257
- * read mestrec file ([5e485f2](https://github.com/cheminfo/jcampconverter/commit/5e485f2))
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-
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-
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-
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- <a name="2.8.0"></a>
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- # [2.8.0](https://github.com/cheminfo/jcampconverter/compare/v2.7.0...v2.8.0) (2017-08-09)
263
-
264
-
265
- ### Features
266
-
267
- * change newGCMS to chromatogram ([1941f48](https://github.com/cheminfo/jcampconverter/commit/1941f48))
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-
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-
270
-
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- <a name="2.7.0"></a>
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- # [2.7.0](https://github.com/cheminfo/jcampconverter/compare/v2.6.0...v2.7.0) (2016-09-15)
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-
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-
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-
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- <a name="2.6.0"></a>
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- # [2.6.0](https://github.com/cheminfo/jcampconverter/compare/v2.5.1...v2.6.0) (2016-07-11)
278
-
279
-
280
- ### Features
281
-
282
- * add noContour option ([ab5ff6b](https://github.com/cheminfo/jcampconverter/commit/ab5ff6b))
283
-
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-
285
-
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- <a name="2.5.1"></a>
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- ## [2.5.1](https://github.com/cheminfo/jcampconverter/compare/v2.5.0...v2.5.1) (2016-06-27)
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-
289
-
290
- ### Bug Fixes
291
-
292
- * more wantXY checks ([c87a97d](https://github.com/cheminfo/jcampconverter/commit/c87a97d))
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-
294
-
295
-
296
- <a name="2.5.0"></a>
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- # [2.5.0](https://github.com/cheminfo/jcampconverter/compare/v2.4.5...v2.5.0) (2016-06-27)
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-
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-
300
-
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- <a name="2.4.5"></a>
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- ## [2.4.5](https://github.com/cheminfo/jcampconverter/compare/v2.4.4...v2.4.5) (2016-05-06)
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-
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-
305
-
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- <a name="2.4.4"></a>
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- ## [2.4.4](https://github.com/cheminfo/jcampconverter/compare/v2.4.3...v2.4.4) (2016-05-06)
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-
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-
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-
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- <a name="2.4.3"></a>
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- ## [2.4.3](https://github.com/cheminfo/jcampconverter/compare/v2.4.2...v2.4.3) (2016-05-04)
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-
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-
315
-
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- <a name="2.4.2"></a>
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- ## [2.4.2](https://github.com/cheminfo/jcampconverter/compare/v2.4.1...v2.4.2) (2016-05-04)
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-
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-
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-
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- <a name="2.4.1"></a>
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- ## [2.4.1](https://github.com/cheminfo/jcampconverter/compare/v2.4.0...v2.4.1) (2016-05-04)
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-
324
-
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-
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- <a name="2.4.0"></a>
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- # [2.4.0](https://github.com/cheminfo/jcampconverter/compare/v2.3.0...v2.4.0) (2016-05-04)
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-
329
-
330
-
331
- <a name="2.3.0"></a>
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- # [2.3.0](https://github.com/cheminfo/jcampconverter/compare/v2.2.2...v2.3.0) (2016-03-14)
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-
334
-
335
-
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- <a name="2.2.2"></a>
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- ## [2.2.2](https://github.com/cheminfo/jcampconverter/compare/v2.2.1...v2.2.2) (2016-03-07)
338
-
339
-
340
-
341
- <a name="2.2.1"></a>
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- ## [2.2.1](https://github.com/cheminfo/jcampconverter/compare/v2.2.0...v2.2.1) (2016-03-04)
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-
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-
345
-
346
- <a name="2.2.0"></a>
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- # [2.2.0](https://github.com/cheminfo/jcampconverter/compare/v2.1.0...v2.2.0) (2016-02-25)
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-
349
-
350
-
351
- <a name="2.1.0"></a>
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- # [2.1.0](https://github.com/cheminfo/jcampconverter/compare/v2.0.9...v2.1.0) (2015-07-21)
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-
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- <a name="2.0.9"></a>
357
- ## [2.0.9](https://github.com/cheminfo/jcampconverter/compare/v2.0.8...v2.0.9) (2015-05-29)
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-
359
-
360
-
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- <a name="2.0.8"></a>
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- ## [2.0.8](https://github.com/cheminfo/jcampconverter/compare/v2.0.7...v2.0.8) (2015-03-10)
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-
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-
365
-
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- <a name="2.0.7"></a>
367
- ## [2.0.7](https://github.com/cheminfo/jcampconverter/compare/v2.0.6...v2.0.7) (2015-03-06)
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-
369
-
370
-
371
- <a name="2.0.6"></a>
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- ## [2.0.6](https://github.com/cheminfo/jcampconverter/compare/v2.0.5...v2.0.6) (2015-03-05)
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-
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-
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-
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- <a name="2.0.5"></a>
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- ## [2.0.5](https://github.com/cheminfo/jcampconverter/compare/v2.0.4...v2.0.5) (2015-02-19)
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-
379
-
380
-
381
- <a name="2.0.4"></a>
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- ## [2.0.4](https://github.com/cheminfo/jcampconverter/compare/v2.0.3...v2.0.4) (2015-02-10)
383
-
384
-
385
-
386
- <a name="2.0.3"></a>
387
- ## [2.0.3](https://github.com/cheminfo/jcampconverter/compare/v2.0.2...v2.0.3) (2015-01-23)
388
-
389
-
390
-
391
- <a name="2.0.2"></a>
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- ## [2.0.2](https://github.com/cheminfo/jcampconverter/compare/v2.0.1...v2.0.2) (2015-01-23)
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-
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-
395
-
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- <a name="2.0.1"></a>
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- ## [2.0.1](https://github.com/cheminfo/jcampconverter/compare/v2.0.0...v2.0.1) (2014-10-20)
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-
399
-
400
-
401
- <a name="2.0.0"></a>
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- # [2.0.0](https://github.com/cheminfo/jcampconverter/compare/v1.0.4...v2.0.0) (2014-10-20)
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-
404
-
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-
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- <a name="1.0.4"></a>
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- ## [1.0.4](https://github.com/cheminfo/jcampconverter/compare/v1.0.3...v1.0.4) (2014-10-16)
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-
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-
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-
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- <a name="1.0.3"></a>
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- ## [1.0.3](https://github.com/cheminfo/jcampconverter/compare/v1.0.2...v1.0.3) (2014-10-06)
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-
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-
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-
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- <a name="1.0.2"></a>
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- ## [1.0.2](https://github.com/cheminfo/jcampconverter/compare/v1.0.1...v1.0.2) (2014-10-06)
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-
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-
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-
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- <a name="1.0.1"></a>
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- ## [1.0.1](https://github.com/cheminfo/jcampconverter/compare/v1.0.0...v1.0.1) (2014-10-06)
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-
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-
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- <a name="1.0.0"></a>
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- # 1.0.0 (2014-10-06)