@complat/react-spectra-editor 1.0.0-rc10 → 1.0.0-rc11
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/dist/__tests__/fixtures/dls_acf_jcamp.js +149 -0
- package/dist/__tests__/fixtures/dls_intensity_jcamp.js +152 -0
- package/dist/__tests__/fixtures/emissions_jcamp.js +884 -0
- package/dist/components/cmd_bar/r01_layout.js +13 -1
- package/dist/components/d3_line/line_focus.js +1 -1
- package/dist/constants/list_layout.js +4 -1
- package/dist/helpers/chem.js +9 -0
- package/dist/helpers/format.js +72 -2
- package/dist/index.js +35 -1
- package/package.json +1 -1
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"use strict";
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Object.defineProperty(exports, "__esModule", {
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value: true
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});
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exports.default = void 0;
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const dlsAcfJcamp = `
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##TITLE=
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##JCAMP-DX=5.0
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##DATA TYPE=LINK
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##BLOCKS=1
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$$ === CHEMSPECTRA SPECTRUM ORIG ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=DLS ACF
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##DATA CLASS=XYDATA
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##$CSCATEGORY=SPECTRUM
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##ORIGIN=
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##OWNER=
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##XUNITS=Lag time (microseconds)
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##YUNITS=ACF (a.u.)
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##XFACTOR=1.0
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##YFACTOR=1.0
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##FIRSTX=0.5
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##LASTX=1660.0
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##MAXX=1660.0
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##MAXY=0.905
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##MINX=0.5
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##MINY=0.007
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##NPOINTS=70
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##XYDATA= (XY..XY)
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0.5, 0.897
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1.0, 0.905
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1.5, 0.903
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2.0, 0.9
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2.5, 0.899
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3.0, 0.897
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3.5, 0.895
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4.0, 0.892
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4.5, 0.891
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5.5, 0.886
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6.5, 0.883
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7.5, 0.879
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8.5, 0.874
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9.5, 0.87
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10.5, 0.867
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11.5, 0.863
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12.5, 0.859
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14.5, 0.851
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16.5, 0.843
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18.5, 0.834
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20.5, 0.827
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22.5, 0.821
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24.5, 0.813
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26.5, 0.806
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28.5, 0.799
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32.5, 0.784
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36.5, 0.771
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40.5, 0.757
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44.5, 0.743
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48.5, 0.73
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52.5, 0.717
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56.5, 0.704
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60.5, 0.692
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68.5, 0.667
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76.5, 0.644
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84.5, 0.622
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92.5, 0.6
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101.0, 0.58
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109.0, 0.56
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117.0, 0.541
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125.0, 0.522
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141.0, 0.487
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157.0, 0.454
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173.0, 0.425
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189.0, 0.397
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205.0, 0.37
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221.0, 0.346
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237.0, 0.324
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253.0, 0.303
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285.0, 0.266
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317.0, 0.233
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349.0, 0.205
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381.0, 0.18
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413.0, 0.159
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445.0, 0.141
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477.0, 0.124
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509.0, 0.11
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573.0, 0.0857
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637.0, 0.068
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701.0, 0.054
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765.0, 0.0434
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829.0, 0.0341
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893.0, 0.027
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957.0, 0.0221
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1020.0, 0.018
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1150.0, 0.0123
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1280.0, 0.0105
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1400.0, 0.0107
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1530.0, 0.00919
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1660.0, 0.007
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$$ === CHEMSPECTRA INTEGRALS AND MULTIPLETS ===
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##$OBSERVEDINTEGRALS= (X Y Z)
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##$OBSERVEDMULTIPLETS=
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##$OBSERVEDMULTIPLETSPEAKS=
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$$ === CHEMSPECTRA SIMULATION ===
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##$CSSIMULATIONPEAKS=
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##END=
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$$ === CHEMSPECTRA PEAK TABLE EDIT ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=DLS ACFPEAKTABLE
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##DATA CLASS=PEAKTABLE
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##$CSCATEGORY=EDIT_PEAK
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##$CSTHRESHOLD=1.05
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##MAXX=1660.0
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##MAXY=0.905
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##MINX=0.5
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##MINY=0.007
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##$CSSOLVENTNAME=
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##$CSSOLVENTVALUE=0
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##$CSSOLVENTX=0
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##NPOINTS=0
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##PEAKTABLE= (XY..XY)
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##END=
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$$ === CHEMSPECTRA PEAK TABLE AUTO ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=DLS ACFPEAKTABLE
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##DATA CLASS=PEAKTABLE
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##$CSCATEGORY=AUTO_PEAK
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##$CSTHRESHOLD=1.05
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##MAXX=1660.0
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##MAXY=0.905
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##MINX=0.5
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##MINY=0.007
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##NPOINTS=0
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##PEAKTABLE= (XY..XY)
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##END=
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##END=
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`;
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var _default = dlsAcfJcamp;
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exports.default = _default;
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"use strict";
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Object.defineProperty(exports, "__esModule", {
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value: true
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});
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exports.default = void 0;
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const dlsIntensityJcamp = `
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##TITLE=
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##JCAMP-DX=5.0
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##DATA TYPE=LINK
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##BLOCKS=1
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$$ === CHEMSPECTRA SPECTRUM ORIG ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=DLS intensity
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##DATA CLASS=XYDATA
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##$CSCATEGORY=SPECTRUM
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##ORIGIN=
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##OWNER=
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##XUNITS=Hydrodynamic diameter (nm)
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##YUNITS=relative intensity (%)
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##XFACTOR=1.0
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##YFACTOR=1.0
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##FIRSTX=0.4
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##LASTX=8630.0
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##LASTX=8630.0
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##MAXX=8630.0
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##MAXY=17.6
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##MINX=0.4
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##MINY=0.0
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##MINX=0.4
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##MINY=0.0
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##NPOINTS=69
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##XYDATA= (XY..XY)
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0.4, 0.0
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0.463, 0.0
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0.536, 0.0
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0.621, 0.0
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24.4, 0.0
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28.2, 0.0
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32.7, 0.0
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37.8, 0.062
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43.8, 0.557
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50.7, 0.75
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58.8, 0.435
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68.1, 0.000727
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78.8, 0.834
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91.3, 4.05
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106.0, 8.9
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122.0, 13.8
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142.0, 17.0
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164.0, 17.6
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190.0, 15.2
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220.0, 10.9
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255.0, 5.92
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295.0, 2.06
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342.0, 0.294
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396.0, 0.022
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459.0, 0.0
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531.0, 0.112
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615.0, 0.256
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712.0, 0.354
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825.0, 0.367
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955.0, 0.298
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1110.0, 0.181
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1280.0, 0.0677
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1480.0, 0.00405
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1720.0, 0.0
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1990.0, 0.0
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2300.0, 0.0
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2670.0, 0.0
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3090.0, 0.0
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3580.0, 0.0
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4150.0, 0.0
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4800.0, 0.0
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5560.0, 0.0
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6440.0, 0.0
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7460.0, 0.0
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$$ === CHEMSPECTRA INTEGRALS AND MULTIPLETS ===
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##$OBSERVEDINTEGRALS= (X Y Z)
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##$OBSERVEDMULTIPLETS=
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##$OBSERVEDMULTIPLETSPEAKS=
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$$ === CHEMSPECTRA SIMULATION ===
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##$CSSIMULATIONPEAKS=
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##END=
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$$ === CHEMSPECTRA PEAK TABLE EDIT ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=UVVISPEAKTABLE
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##DATA CLASS=PEAKTABLE
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##$CSCATEGORY=EDIT_PEAK
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##$CSTHRESHOLD=0.05
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##MAXX=8630.0
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##MAXY=17.6
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##MINX=0.4
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##MINY=0.0
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##$CSSOLVENTNAME=
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##$CSSOLVENTVALUE=0
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##$CSSOLVENTX=0
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##NPOINTS=0
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##PEAKTABLE= (XY..XY)
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##END=
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$$ === CHEMSPECTRA PEAK TABLE AUTO ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=UVVISPEAKTABLE
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##DATA CLASS=PEAKTABLE
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##$CSCATEGORY=AUTO_PEAK
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##$CSTHRESHOLD=0.05
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##MAXX=8630.0
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##MAXY=17.6
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##MINX=0.4
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##MINY=0.0
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##NPOINTS=1
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##PEAKTABLE= (XY..XY)
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164.0, 17.6
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##END=
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##END=
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`;
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var _default = dlsIntensityJcamp;
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exports.default = _default;
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@@ -0,0 +1,884 @@
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"use strict";
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Object.defineProperty(exports, "__esModule", {
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value: true
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});
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exports.default = void 0;
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const emissionsJcamp = `
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##TITLE=
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##JCAMP-DX=5.0
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##DATA TYPE=LINK
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##BLOCKS=1
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$$ === CHEMSPECTRA SPECTRUM ORIG ===
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##TITLE=
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##JCAMP-DX=5.00
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##DATA TYPE=Emissions
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##DATA CLASS=XYDATA
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##$CSCATEGORY=SPECTRUM
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##ORIGIN=
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##OWNER=
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##XUNITS=wavelength (nm)
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##YUNITS=Intensity
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##XFACTOR=1.0
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##YFACTOR=1.0
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|
685
|
+
726.5, 0.771352
|
|
686
|
+
727.0, 0.765632
|
|
687
|
+
727.5, 0.754063
|
|
688
|
+
728.0, 0.739182
|
|
689
|
+
728.5, 0.737067
|
|
690
|
+
729.0, 0.714806
|
|
691
|
+
729.5, 0.688048
|
|
692
|
+
730.0, 0.673943
|
|
693
|
+
730.5, 0.661829
|
|
694
|
+
731.0, 0.639847
|
|
695
|
+
731.5, 0.627071
|
|
696
|
+
732.0, 0.607165
|
|
697
|
+
732.5, 0.590783
|
|
698
|
+
733.0, 0.571272
|
|
699
|
+
733.5, 0.557248
|
|
700
|
+
734.0, 0.551462
|
|
701
|
+
734.5, 0.536873
|
|
702
|
+
735.0, 0.528909
|
|
703
|
+
735.5, 0.533759
|
|
704
|
+
736.0, 0.525631
|
|
705
|
+
736.5, 0.508665
|
|
706
|
+
737.0, 0.504895
|
|
707
|
+
737.5, 0.490307
|
|
708
|
+
738.0, 0.479657
|
|
709
|
+
738.5, 0.472847
|
|
710
|
+
739.0, 0.463091
|
|
711
|
+
739.5, 0.448371
|
|
712
|
+
740.0, 0.439887
|
|
713
|
+
740.5, 0.434803
|
|
714
|
+
741.0, 0.419084
|
|
715
|
+
741.5, 0.397374
|
|
716
|
+
742.0, 0.377531
|
|
717
|
+
742.5, 0.363784
|
|
718
|
+
743.0, 0.35031
|
|
719
|
+
743.5, 0.34517
|
|
720
|
+
744.0, 0.339509
|
|
721
|
+
744.5, 0.339587
|
|
722
|
+
745.0, 0.328797
|
|
723
|
+
745.5, 0.32535
|
|
724
|
+
746.0, 0.316521
|
|
725
|
+
746.5, 0.32123
|
|
726
|
+
747.0, 0.321918
|
|
727
|
+
747.5, 0.323073
|
|
728
|
+
748.0, 0.314619
|
|
729
|
+
748.5, 0.304859
|
|
730
|
+
749.0, 0.293168
|
|
731
|
+
749.5, 0.285459
|
|
732
|
+
750.0, 0.269866
|
|
733
|
+
750.5, 0.261831
|
|
734
|
+
751.0, 0.256948
|
|
735
|
+
751.5, 0.240482
|
|
736
|
+
752.0, 0.238543
|
|
737
|
+
752.5, 0.239589
|
|
738
|
+
753.0, 0.233852
|
|
739
|
+
753.5, 0.237834
|
|
740
|
+
754.0, 0.230985
|
|
741
|
+
754.5, 0.227506
|
|
742
|
+
755.0, 0.218996
|
|
743
|
+
755.5, 0.21883
|
|
744
|
+
756.0, 0.220063
|
|
745
|
+
756.5, 0.216851
|
|
746
|
+
757.0, 0.208293
|
|
747
|
+
757.5, 0.203984
|
|
748
|
+
758.0, 0.204004
|
|
749
|
+
758.5, 0.193933
|
|
750
|
+
759.0, 0.189798
|
|
751
|
+
759.5, 0.18988
|
|
752
|
+
760.0, 0.187443
|
|
753
|
+
760.5, 0.178026
|
|
754
|
+
761.0, 0.175454
|
|
755
|
+
761.5, 0.165942
|
|
756
|
+
762.0, 0.164835
|
|
757
|
+
762.5, 0.161194
|
|
758
|
+
763.0, 0.159984
|
|
759
|
+
763.5, 0.164244
|
|
760
|
+
764.0, 0.159939
|
|
761
|
+
764.5, 0.161173
|
|
762
|
+
765.0, 0.159522
|
|
763
|
+
765.5, 0.156448
|
|
764
|
+
766.0, 0.152956
|
|
765
|
+
766.5, 0.149222
|
|
766
|
+
767.0, 0.145124
|
|
767
|
+
767.5, 0.135762
|
|
768
|
+
768.0, 0.127582
|
|
769
|
+
768.5, 0.116956
|
|
770
|
+
769.0, 0.115916
|
|
771
|
+
769.5, 0.114726
|
|
772
|
+
770.0, 0.112243
|
|
773
|
+
770.5, 0.105363
|
|
774
|
+
771.0, 0.108749
|
|
775
|
+
771.5, 0.106172
|
|
776
|
+
772.0, 0.101994
|
|
777
|
+
772.5, 0.103756
|
|
778
|
+
773.0, 0.0963631
|
|
779
|
+
773.5, 0.0896667
|
|
780
|
+
774.0, 0.0863852
|
|
781
|
+
774.5, 0.0822998
|
|
782
|
+
775.0, 0.0751632
|
|
783
|
+
775.5, 0.0752349
|
|
784
|
+
776.0, 0.0722959
|
|
785
|
+
776.5, 0.0684348
|
|
786
|
+
777.0, 0.0696659
|
|
787
|
+
777.5, 0.0627365
|
|
788
|
+
778.0, 0.0640981
|
|
789
|
+
778.5, 0.065616
|
|
790
|
+
779.0, 0.0629221
|
|
791
|
+
779.5, 0.0571957
|
|
792
|
+
780.0, 0.052281
|
|
793
|
+
780.5, 0.0509311
|
|
794
|
+
781.0, 0.0495644
|
|
795
|
+
781.5, 0.0463786
|
|
796
|
+
782.0, 0.046733
|
|
797
|
+
782.5, 0.0423936
|
|
798
|
+
783.0, 0.0386875
|
|
799
|
+
783.5, 0.0349155
|
|
800
|
+
784.0, 0.0259163
|
|
801
|
+
784.5, 0.028397
|
|
802
|
+
785.0, 0.0227816
|
|
803
|
+
785.5, 0.0214889
|
|
804
|
+
786.0, 0.0202082
|
|
805
|
+
786.5, 0.0185266
|
|
806
|
+
787.0, 0.0179278
|
|
807
|
+
787.5, 0.0202475
|
|
808
|
+
788.0, 0.0196759
|
|
809
|
+
788.5, 0.0219514
|
|
810
|
+
789.0, 0.0309213
|
|
811
|
+
789.5, 0.0264383
|
|
812
|
+
790.0, 0.0236135
|
|
813
|
+
790.5, 0.0180345
|
|
814
|
+
791.0, 0.0169638
|
|
815
|
+
791.5, 0.0129427
|
|
816
|
+
792.0, 0.0150573
|
|
817
|
+
792.5, 0.0121492
|
|
818
|
+
793.0, 0.0132592
|
|
819
|
+
793.5, 0.0138522
|
|
820
|
+
794.0, 0.012745
|
|
821
|
+
794.5, 0.0113152
|
|
822
|
+
795.0, 0.018881
|
|
823
|
+
795.5, 0.0217344
|
|
824
|
+
796.0, 0.0201774
|
|
825
|
+
796.5, 0.0266482
|
|
826
|
+
797.0, 0.0255316
|
|
827
|
+
797.5, 0.0243361
|
|
828
|
+
798.0, 0.0275861
|
|
829
|
+
798.5, 0.0255186
|
|
830
|
+
799.0, 0.0267742
|
|
831
|
+
799.5, 0.0243003
|
|
832
|
+
800.0, 0.0258263
|
|
833
|
+
$$ === CHEMSPECTRA INTEGRALS AND MULTIPLETS ===
|
|
834
|
+
##$OBSERVEDINTEGRALS= (X Y Z)
|
|
835
|
+
##$OBSERVEDMULTIPLETS=
|
|
836
|
+
##$OBSERVEDMULTIPLETSPEAKS=
|
|
837
|
+
$$ === CHEMSPECTRA SIMULATION ===
|
|
838
|
+
##$CSSIMULATIONPEAKS=
|
|
839
|
+
##END=
|
|
840
|
+
|
|
841
|
+
|
|
842
|
+
$$ === CHEMSPECTRA PEAK TABLE EDIT ===
|
|
843
|
+
##TITLE=
|
|
844
|
+
##JCAMP-DX=5.00
|
|
845
|
+
##DATA TYPE=EmissionsPEAKTABLE
|
|
846
|
+
##DATA CLASS=PEAKTABLE
|
|
847
|
+
##$CSCATEGORY=EDIT_PEAK
|
|
848
|
+
##$CSTHRESHOLD=0.05
|
|
849
|
+
##MAXX=800.0
|
|
850
|
+
##MAXY=295.575
|
|
851
|
+
##MINX=400.0
|
|
852
|
+
##MINY=0.0113152
|
|
853
|
+
##$CSSOLVENTNAME=
|
|
854
|
+
##$CSSOLVENTVALUE=0
|
|
855
|
+
##$CSSOLVENTX=0
|
|
856
|
+
##NPOINTS=0
|
|
857
|
+
##PEAKTABLE= (XY..XY)
|
|
858
|
+
##END=
|
|
859
|
+
|
|
860
|
+
|
|
861
|
+
$$ === CHEMSPECTRA PEAK TABLE AUTO ===
|
|
862
|
+
##TITLE=
|
|
863
|
+
##JCAMP-DX=5.00
|
|
864
|
+
##DATA TYPE=EmissionsPEAKTABLE
|
|
865
|
+
##DATA CLASS=PEAKTABLE
|
|
866
|
+
##$CSCATEGORY=AUTO_PEAK
|
|
867
|
+
##$CSTHRESHOLD=0.05
|
|
868
|
+
##MAXX=800.0
|
|
869
|
+
##MAXY=295.575
|
|
870
|
+
##MINX=400.0
|
|
871
|
+
##MINY=0.0113152
|
|
872
|
+
##NPOINTS=4
|
|
873
|
+
##PEAKTABLE= (XY..XY)
|
|
874
|
+
534.0, 295.575
|
|
875
|
+
494.0, 207.706
|
|
876
|
+
495.5, 207.513
|
|
877
|
+
484.5, 190.807
|
|
878
|
+
##END=
|
|
879
|
+
|
|
880
|
+
##END=
|
|
881
|
+
|
|
882
|
+
`;
|
|
883
|
+
var _default = emissionsJcamp;
|
|
884
|
+
exports.default = _default;
|
|
@@ -159,7 +159,19 @@ const layoutSelect = (classes, layoutSt, updateLayoutAct) => {
|
|
|
159
159
|
value: _list_layout.LIST_LAYOUT.AIF
|
|
160
160
|
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
161
161
|
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
162
|
-
}, "AIF"))
|
|
162
|
+
}, "AIF")), /*#__PURE__*/_react.default.createElement(_MenuItem.default, {
|
|
163
|
+
value: _list_layout.LIST_LAYOUT.EMISSIONS
|
|
164
|
+
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
165
|
+
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
166
|
+
}, "EMISSIONS")), /*#__PURE__*/_react.default.createElement(_MenuItem.default, {
|
|
167
|
+
value: _list_layout.LIST_LAYOUT.DLS_ACF
|
|
168
|
+
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
169
|
+
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
170
|
+
}, "DLS ACF")), /*#__PURE__*/_react.default.createElement(_MenuItem.default, {
|
|
171
|
+
value: _list_layout.LIST_LAYOUT.DLS_INTENSITY
|
|
172
|
+
}, /*#__PURE__*/_react.default.createElement("span", {
|
|
173
|
+
className: (0, _classnames.default)(classes.txtOpt, 'option-sv-bar-layout')
|
|
174
|
+
}, "DLS INTENSITY"))));
|
|
163
175
|
};
|
|
164
176
|
const Layout = _ref => {
|
|
165
177
|
let {
|
|
@@ -598,7 +598,7 @@ class LineFocus {
|
|
|
598
598
|
return null;
|
|
599
599
|
}
|
|
600
600
|
reverseXAxis(layoutSt) {
|
|
601
|
-
return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.SEC].indexOf(layoutSt) < 0;
|
|
601
|
+
return [_list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS, _list_layout.LIST_LAYOUT.TGA, _list_layout.LIST_LAYOUT.XRD, _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.CDS, _list_layout.LIST_LAYOUT.DLS_ACF, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.EMISSIONS, _list_layout.LIST_LAYOUT.DLS_INTENSITY].indexOf(layoutSt) < 0;
|
|
602
602
|
}
|
|
603
603
|
create(_ref) {
|
|
604
604
|
let {
|
|
@@ -22,6 +22,9 @@ const LIST_LAYOUT = {
|
|
|
22
22
|
CYCLIC_VOLTAMMETRY: 'CYCLIC VOLTAMMETRY',
|
|
23
23
|
CDS: 'CIRCULAR DICHROISM SPECTROSCOPY',
|
|
24
24
|
SEC: 'SIZE EXCLUSION CHROMATOGRAPHY',
|
|
25
|
-
AIF: 'AIF'
|
|
25
|
+
AIF: 'AIF',
|
|
26
|
+
EMISSIONS: 'Emissions',
|
|
27
|
+
DLS_ACF: 'DLS ACF',
|
|
28
|
+
DLS_INTENSITY: 'DLS intensity'
|
|
26
29
|
};
|
|
27
30
|
exports.LIST_LAYOUT = LIST_LAYOUT;
|
package/dist/helpers/chem.js
CHANGED
|
@@ -373,6 +373,15 @@ const readLayout = jcamp => {
|
|
|
373
373
|
if (dataType.includes('SORPTION-DESORPTION MEASUREMENT')) {
|
|
374
374
|
return _list_layout.LIST_LAYOUT.AIF;
|
|
375
375
|
}
|
|
376
|
+
if (dataType.includes('Emissions')) {
|
|
377
|
+
return _list_layout.LIST_LAYOUT.EMISSIONS;
|
|
378
|
+
}
|
|
379
|
+
if (dataType.includes('DLS ACF')) {
|
|
380
|
+
return _list_layout.LIST_LAYOUT.DLS_ACF;
|
|
381
|
+
}
|
|
382
|
+
if (dataType.includes('DLS intensity')) {
|
|
383
|
+
return _list_layout.LIST_LAYOUT.DLS_INTENSITY;
|
|
384
|
+
}
|
|
376
385
|
}
|
|
377
386
|
return false;
|
|
378
387
|
};
|
package/dist/helpers/format.js
CHANGED
|
@@ -126,6 +126,14 @@ const spectraOps = {
|
|
|
126
126
|
[_list_layout.LIST_LAYOUT.SEC]: {
|
|
127
127
|
head: 'SIZE EXCLUSION CHROMATOGRAPHY',
|
|
128
128
|
tail: '.'
|
|
129
|
+
},
|
|
130
|
+
[_list_layout.LIST_LAYOUT.EMISSIONS]: {
|
|
131
|
+
head: 'EMISSION',
|
|
132
|
+
tail: '.'
|
|
133
|
+
},
|
|
134
|
+
[_list_layout.LIST_LAYOUT.DLS_INTENSITY]: {
|
|
135
|
+
head: 'DLS',
|
|
136
|
+
tail: '.'
|
|
129
137
|
}
|
|
130
138
|
};
|
|
131
139
|
const rmRef = function (peaks, shift) {
|
|
@@ -228,6 +236,56 @@ const formatedUvVis = function (peaks, maxY) {
|
|
|
228
236
|
// .join(', ');
|
|
229
237
|
return ordered.map(o => `${o.x}`).join(', ');
|
|
230
238
|
};
|
|
239
|
+
const formatedEmissions = function (peaks, maxY) {
|
|
240
|
+
let decimal = arguments.length > 2 && arguments[2] !== undefined ? arguments[2] : 2;
|
|
241
|
+
let isAscend = arguments.length > 3 && arguments[3] !== undefined ? arguments[3] : true;
|
|
242
|
+
let isIntensity = arguments.length > 4 && arguments[4] !== undefined ? arguments[4] : false;
|
|
243
|
+
let boundary = arguments.length > 5 && arguments[5] !== undefined ? arguments[5] : {};
|
|
244
|
+
let lowerIsStronger = arguments.length > 6 && arguments[6] !== undefined ? arguments[6] : false;
|
|
245
|
+
const ascendFunc = (a, b) => parseFloat(a) - parseFloat(b);
|
|
246
|
+
const descendFunc = (a, b) => parseFloat(b) - parseFloat(a);
|
|
247
|
+
const sortFunc = isAscend ? ascendFunc : descendFunc;
|
|
248
|
+
let ordered = {};
|
|
249
|
+
peaks.forEach(p => {
|
|
250
|
+
const x = fixDigit(p.x, decimal);
|
|
251
|
+
const better = !ordered[x] || p.y > ordered[x];
|
|
252
|
+
if (better) {
|
|
253
|
+
ordered = Object.assign({}, ordered, {
|
|
254
|
+
[x]: p.y
|
|
255
|
+
});
|
|
256
|
+
}
|
|
257
|
+
});
|
|
258
|
+
ordered = Object.keys(ordered).sort(sortFunc).map(k => ({
|
|
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|
+
x: k,
|
|
260
|
+
y: ordered[k]
|
|
261
|
+
}));
|
|
262
|
+
return ordered.map(o => `${o.x} nm (${fixDigit(o.y, 2)} a.u.)`).join(', ');
|
|
263
|
+
};
|
|
264
|
+
const formatedDLSIntensity = function (peaks, maxY) {
|
|
265
|
+
let decimal = arguments.length > 2 && arguments[2] !== undefined ? arguments[2] : 2;
|
|
266
|
+
let isAscend = arguments.length > 3 && arguments[3] !== undefined ? arguments[3] : true;
|
|
267
|
+
let isIntensity = arguments.length > 4 && arguments[4] !== undefined ? arguments[4] : false;
|
|
268
|
+
let boundary = arguments.length > 5 && arguments[5] !== undefined ? arguments[5] : {};
|
|
269
|
+
let lowerIsStronger = arguments.length > 6 && arguments[6] !== undefined ? arguments[6] : false;
|
|
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|
+
const ascendFunc = (a, b) => parseFloat(a) - parseFloat(b);
|
|
271
|
+
const descendFunc = (a, b) => parseFloat(b) - parseFloat(a);
|
|
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|
+
const sortFunc = isAscend ? ascendFunc : descendFunc;
|
|
273
|
+
let ordered = {};
|
|
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|
+
peaks.forEach(p => {
|
|
275
|
+
const x = fixDigit(p.x, decimal);
|
|
276
|
+
const better = !ordered[x] || p.y > ordered[x];
|
|
277
|
+
if (better) {
|
|
278
|
+
ordered = Object.assign({}, ordered, {
|
|
279
|
+
[x]: p.y
|
|
280
|
+
});
|
|
281
|
+
}
|
|
282
|
+
});
|
|
283
|
+
ordered = Object.keys(ordered).sort(sortFunc).map(k => ({
|
|
284
|
+
x: k,
|
|
285
|
+
y: ordered[k]
|
|
286
|
+
}));
|
|
287
|
+
return ordered.map(o => `${o.x} nm (${o.y} %)`).join(', ');
|
|
288
|
+
};
|
|
231
289
|
const formatedHplcUvVis = function (peaks) {
|
|
232
290
|
let decimal = arguments.length > 1 && arguments[1] !== undefined ? arguments[1] : 2;
|
|
233
291
|
let integration = arguments.length > 2 ? arguments[2] : undefined;
|
|
@@ -317,6 +375,12 @@ const peaksBody = _ref => {
|
|
|
317
375
|
if (layout === _list_layout.LIST_LAYOUT.HPLC_UVVIS) {
|
|
318
376
|
return formatedHplcUvVis(ordered, decimal, integration);
|
|
319
377
|
}
|
|
378
|
+
if (layout === _list_layout.LIST_LAYOUT.EMISSIONS) {
|
|
379
|
+
return formatedEmissions(ordered, maxY, decimal, isAscend, isIntensity, boundary, false);
|
|
380
|
+
}
|
|
381
|
+
if (layout === _list_layout.LIST_LAYOUT.DLS_INTENSITY) {
|
|
382
|
+
return formatedDLSIntensity(ordered, maxY, decimal, isAscend, isIntensity, boundary, false);
|
|
383
|
+
}
|
|
320
384
|
if (layout === _list_layout.LIST_LAYOUT.RAMAN || layout === _list_layout.LIST_LAYOUT.TGA || layout === _list_layout.LIST_LAYOUT.XRD || layout === _list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY || layout === _list_layout.LIST_LAYOUT.CDS || layout === _list_layout.LIST_LAYOUT.SEC) {
|
|
321
385
|
return formatedEm(ordered, maxY, decimal, isAscend, isIntensity, boundary, false);
|
|
322
386
|
}
|
|
@@ -332,7 +396,7 @@ const peaksWrapper = function (layout, shift) {
|
|
|
332
396
|
if (selectedShift.ref.label) {
|
|
333
397
|
solvTxt = ` (${selectedShift.ref.label})`;
|
|
334
398
|
}
|
|
335
|
-
if (layout === _list_layout.LIST_LAYOUT.PLAIN) {
|
|
399
|
+
if (layout === _list_layout.LIST_LAYOUT.PLAIN || layout === _list_layout.LIST_LAYOUT.DLS_ACF) {
|
|
336
400
|
return {
|
|
337
401
|
head: '',
|
|
338
402
|
tail: ''
|
|
@@ -364,6 +428,9 @@ const isSECLayout = layoutSt => _list_layout.LIST_LAYOUT.SEC === layoutSt;
|
|
|
364
428
|
const isEmWaveLayout = layoutSt => [_list_layout.LIST_LAYOUT.IR, _list_layout.LIST_LAYOUT.RAMAN, _list_layout.LIST_LAYOUT.UVVIS, _list_layout.LIST_LAYOUT.HPLC_UVVIS].indexOf(layoutSt) >= 0;
|
|
365
429
|
const hasMultiCurves = layoutSt => [_list_layout.LIST_LAYOUT.CYCLIC_VOLTAMMETRY, _list_layout.LIST_LAYOUT.SEC, _list_layout.LIST_LAYOUT.AIF].indexOf(layoutSt) >= 0;
|
|
366
430
|
const isAIFLayout = layoutSt => _list_layout.LIST_LAYOUT.AIF === layoutSt;
|
|
431
|
+
const isEmissionsLayout = layoutSt => _list_layout.LIST_LAYOUT.EMISSIONS === layoutSt;
|
|
432
|
+
const isDLSACFLayout = layoutSt => _list_layout.LIST_LAYOUT.DLS_ACF === layoutSt;
|
|
433
|
+
const isDLSIntensityLayout = layoutSt => _list_layout.LIST_LAYOUT.DLS_INTENSITY === layoutSt;
|
|
367
434
|
const getNmrTyp = layout => {
|
|
368
435
|
switch (layout) {
|
|
369
436
|
case _list_layout.LIST_LAYOUT.H1:
|
|
@@ -439,6 +506,8 @@ const Format = {
|
|
|
439
506
|
isCyclicVoltaLayout,
|
|
440
507
|
isCDSLayout,
|
|
441
508
|
isSECLayout,
|
|
509
|
+
isEmissionsLayout,
|
|
510
|
+
isDLSIntensityLayout,
|
|
442
511
|
isEmWaveLayout,
|
|
443
512
|
fixDigit,
|
|
444
513
|
formatPeaksByPrediction,
|
|
@@ -448,7 +517,8 @@ const Format = {
|
|
|
448
517
|
compareColors,
|
|
449
518
|
mutiEntitiesColors,
|
|
450
519
|
hasMultiCurves,
|
|
451
|
-
isAIFLayout
|
|
520
|
+
isAIFLayout,
|
|
521
|
+
isDLSACFLayout
|
|
452
522
|
};
|
|
453
523
|
var _default = Format;
|
|
454
524
|
exports.default = _default;
|
package/dist/index.js
CHANGED
|
@@ -41,6 +41,9 @@ var _sec_3_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_3_jc
|
|
|
41
41
|
var _sec_4_jcamp = _interopRequireDefault(require("./__tests__/fixtures/sec_4_jcamp"));
|
|
42
42
|
var _aif_jcamp_ = _interopRequireDefault(require("./__tests__/fixtures/aif_jcamp_1"));
|
|
43
43
|
var _aif_jcamp_2 = _interopRequireDefault(require("./__tests__/fixtures/aif_jcamp_2"));
|
|
44
|
+
var _emissions_jcamp = _interopRequireDefault(require("./__tests__/fixtures/emissions_jcamp"));
|
|
45
|
+
var _dls_acf_jcamp = _interopRequireDefault(require("./__tests__/fixtures/dls_acf_jcamp"));
|
|
46
|
+
var _dls_intensity_jcamp = _interopRequireDefault(require("./__tests__/fixtures/dls_intensity_jcamp"));
|
|
44
47
|
var _qDescValue = require("./__tests__/fixtures/qDescValue");
|
|
45
48
|
require("./__tests__/style/svg.css");
|
|
46
49
|
/* eslint-disable prefer-object-spread, default-param-last, no-nested-ternary */
|
|
@@ -75,6 +78,9 @@ const secEntity3 = _app.FN.ExtractJcamp(_sec_3_jcamp.default);
|
|
|
75
78
|
const secEntity4 = _app.FN.ExtractJcamp(_sec_4_jcamp.default);
|
|
76
79
|
const aifEntity1 = _app.FN.ExtractJcamp(_aif_jcamp_.default);
|
|
77
80
|
const aifEntity2 = _app.FN.ExtractJcamp(_aif_jcamp_2.default);
|
|
81
|
+
const emissionsEntity = _app.FN.ExtractJcamp(_emissions_jcamp.default);
|
|
82
|
+
const dlsAcfEntity = _app.FN.ExtractJcamp(_dls_acf_jcamp.default);
|
|
83
|
+
const dlsIntensityEntity = _app.FN.ExtractJcamp(_dls_intensity_jcamp.default);
|
|
78
84
|
class DemoWriteIr extends _react.default.Component {
|
|
79
85
|
constructor(props) {
|
|
80
86
|
super(props);
|
|
@@ -162,6 +168,12 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
162
168
|
return secEntity1;
|
|
163
169
|
case 'aif':
|
|
164
170
|
return aifEntity1;
|
|
171
|
+
case 'emissions':
|
|
172
|
+
return emissionsEntity;
|
|
173
|
+
case 'dls acf':
|
|
174
|
+
return dlsAcfEntity;
|
|
175
|
+
case 'dls intensity':
|
|
176
|
+
return dlsIntensityEntity;
|
|
165
177
|
case 'ms':
|
|
166
178
|
default:
|
|
167
179
|
return msEntity;
|
|
@@ -217,6 +229,9 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
217
229
|
case 'cds':
|
|
218
230
|
case 'sec':
|
|
219
231
|
case 'aif':
|
|
232
|
+
case 'emissions':
|
|
233
|
+
case 'dls acf':
|
|
234
|
+
case 'dls intensity':
|
|
220
235
|
default:
|
|
221
236
|
return false;
|
|
222
237
|
}
|
|
@@ -626,6 +641,24 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
626
641
|
},
|
|
627
642
|
onClick: this.onClick('aif')
|
|
628
643
|
}, "AIF"), /*#__PURE__*/_react.default.createElement(_Button.default, {
|
|
644
|
+
variant: "contained",
|
|
645
|
+
style: {
|
|
646
|
+
margin: '0 10px 0 10px'
|
|
647
|
+
},
|
|
648
|
+
onClick: this.onClick('emissions')
|
|
649
|
+
}, "EMISSIONS"), /*#__PURE__*/_react.default.createElement(_Button.default, {
|
|
650
|
+
variant: "contained",
|
|
651
|
+
style: {
|
|
652
|
+
margin: '0 10px 0 10px'
|
|
653
|
+
},
|
|
654
|
+
onClick: this.onClick('dls acf')
|
|
655
|
+
}, "DLS ACF"), /*#__PURE__*/_react.default.createElement(_Button.default, {
|
|
656
|
+
variant: "contained",
|
|
657
|
+
style: {
|
|
658
|
+
margin: '0 10px 0 10px'
|
|
659
|
+
},
|
|
660
|
+
onClick: this.onClick('dls intensity')
|
|
661
|
+
}, "DLS intensity"), /*#__PURE__*/_react.default.createElement(_Button.default, {
|
|
629
662
|
variant: "contained",
|
|
630
663
|
style: {
|
|
631
664
|
margin: '0 10px 0 10px'
|
|
@@ -666,7 +699,8 @@ class DemoWriteIr extends _react.default.Component {
|
|
|
666
699
|
userManualLink: {
|
|
667
700
|
cv: "https://www.chemotion.net/chemotionsaurus/docs/eln/chemspectra/cvanalysis"
|
|
668
701
|
},
|
|
669
|
-
forecast: forecast
|
|
702
|
+
forecast: forecast,
|
|
703
|
+
operations: operations
|
|
670
704
|
}), /*#__PURE__*/_react.default.createElement("div", null, /*#__PURE__*/_react.default.createElement("span", null, "Description Changed"), /*#__PURE__*/_react.default.createElement(_reactQuill.default, {
|
|
671
705
|
className: 'card-sv-quill',
|
|
672
706
|
value: this.state.descChanged,
|