@complat/react-spectra-editor 1.0.0-rc2 → 1.0.0-rc20.patch-1

package/README.md

@@ -2,6 +2,8 @@
 
 An editor to View and Edit Chemical Spectra data (NMR, IR and MS).
 
+![Testing](https://github.com/ComPlat/react-spectra-editor/actions/workflows/testing.yml/badge.svg)
+
 ### Usage
 
 #### Installing from npm
@@ -35,3 +37,17 @@ $ yarn start
 
 [demo & step-by-step manual](https://github.com/ComPlat/react-spectra-editor/blob/master/DEMO_MANUAL.md)
 
+
+
+## Acknowledgments
+
+This project has been funded by the **[DFG]**.
+
+[![DFG Logo]][DFG]
+
+
+Funded by the [Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)](https://www.dfg.de/) under the [National Research Data Infrastructure – NFDI4Chem](https://nfdi4chem.de/) – Projektnummer **441958208** since 2020.
+
+
+[DFG]: https://www.dfg.de/en/
+[DFG Logo]: https://www.dfg.de/zentralablage/bilder/service/logos_corporate_design/logo_negativ_267.png

package/dist/__tests__/fixtures/aif_jcamp_1.js

@@ -0,0 +1,136 @@
+"use strict";
+
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.default = void 0;
+const aifJcamp1 = `
+##TITLE=Spectrum
+##JCAMP-DX=5.00 $$ chemotion-converter-app (0.1.0)
+##DATA TYPE=SORPTION-DESORPTION MEASUREMENT
+##DATA CLASS=XYDATA
+##ORIGIN=
+##OWNER=
+##XUNITS=p/p0
+##YUNITS=ml/g
+##OPERATOR=Volodymyr
+##DATE=2020-04-30T00:00:00
+##SERIAL=BEL 00218
+##ADSORPTIVE=CH4
+##TEMPERATURE=384.15
+##AMOUNT=0.00980
+##SAMPLE_CID=aus der BOX
+##SAMPLE_MAT_ID=DUT-140(Cu)
+##SOFTWARE=raw2aif
+##SOFTWARE_VERSION=v004
+##FIRSTX=0.000213204381723083
+##LASTX=0.9634757722293498
+##MINX=0.000213204381723083
+##MAXX=0.9634757722293498
+##MINY=10.631
+##MAXY=1481.2
+##NPOINTS=96
+##FIRSTY=10.631
+##XUNITS=p/p0
+##YUNITS=ml/g
+##XYDATA=(XY..XY)
+0.000213204381723083, 10.631
+0.0008993091878022303, 66.609
+0.0016908121977696636, 120.28
+0.002905260041448732, 170.14
+0.004614526793644528, 214.69
+0.008697226882463239, 282.5
+0.012181979670383893, 322.52
+0.016622915227474586, 360.27
+0.022689233198460477, 401.55
+0.024416263692884636, 412.09
+0.030442119806572587, 445.23
+0.03634757722293497, 475.88
+0.037632487910786536, 482.6
+0.04695253133326754, 528.34
+0.049001282936938714, 538.13
+0.05896378170334551, 588.18
+0.06089213460969111, 598.56
+0.06715878811803021, 632.29
+0.0724217901904668, 664.8
+0.0735468271982631, 673.66
+0.12681338201914535, 551.43
+0.13605052797789402, 552.89
+0.14818908516727525, 554.89
+0.16031777361097405, 557.43
+0.17252541202013225, 559.16
+0.1847034441922432, 560.83
+0.19691108260140136, 562.66
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+0.24568242376393962, 568.2
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+0.2820388828579888, 573.23
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+0.33048455541300703, 580.66
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+0.3546728510806277, 586.22
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+0.7788019342741538, 1404.7
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+0.8027040363169841, 1425.7
+0.8154445869929933, 1433.9
+0.827898944044212, 1442.2
+0.8404322510608901, 1449.0
+0.8528471331293792, 1454.4
+0.8653409651633278, 1458.8
+0.8776275535379454, 1462.7
+0.8899240106582453, 1466.3
+0.9024178426921937, 1469.2
+0.9143886312049738, 1473.3
+0.9270403631698411, 1473.8
+0.9390506266653508, 1476.2
+0.9511003651435903, 1479.6
+0.9634757722293498, 1481.2
+##END=$$ End of the data block
+
+`;
+var _default = exports.default = aifJcamp1;

package/dist/__tests__/fixtures/aif_jcamp_2.js

@@ -0,0 +1,122 @@
+"use strict";
+
+Object.defineProperty(exports, "__esModule", {
+  value: true
+});
+exports.default = void 0;
+const aifJcamp2 = `
+##TITLE=Spectrum
+##JCAMP-DX=5.00 $$ chemotion-converter-app (0.1.0)
+##DATA TYPE=SORPTION-DESORPTION MEASUREMENT
+##DATA CLASS=XYDATA
+##ORIGIN=
+##OWNER=
+##XUNITS=p/p0
+##YUNITS=ml/g
+##OPERATOR=Volodymyr
+##DATE=2020-04-30T00:00:00
+##SERIAL=BEL 00218
+##ADSORPTIVE=CH4
+##AMOUNT=0.00980
+##SAMPLE_CID=aus der BOX
+##SAMPLE_MAT_ID=DUT-140(Cu)
+##SOFTWARE=raw2aif
+##SOFTWARE_VERSION=v004
+##FIRSTX=0.9562025066614033
+##LASTX=0.0013190565479127604
+##MINX=0.0013190565479127604
+##MAXX=0.9562025066614033
+##MINY=383.81
+##MAXY=1479.7
+##NPOINTS=82
+##FIRSTY=1479.7
+##XUNITS=p/p0
+##YUNITS=ml/g
+##XYDATA=(XY..XY)
+0.9562025066614033, 1479.7
+0.9443106681140827, 1477.3
+0.9321819796703839, 1475.6
+0.9204480410539821, 1472.5
+0.9083588275930129, 1469.0
+0.8962696141320439, 1465.6
+0.8837757820980954, 1462.7
+0.8719234185335044, 1459.8
+0.8599131550379947, 1456.7
+0.8474193230040462, 1454.9
+0.8352906345603474, 1452.7
+0.8232310273364256, 1449.4
+0.8112602388236455, 1446.8
+0.7988947004835686, 1444.5
+0.7868350932596467, 1441.8
+0.7746274548504885, 1439.6
+0.7625382413895194, 1438.1
+0.7503996842001381, 1435.6
+0.7383894207046284, 1432.6
+0.7260633573472812, 1430.5
+0.7139248001578999, 1428.5
+0.7020329616105793, 1427.2
+0.6899042731668805, 1426.8
+0.6789006217309781, 1424.4
+0.664995559064443, 1422.2
+0.6509819401954011, 1420.1
+0.6373630711536564, 1417.9
+0.623379058521662, 1415.6
+0.6097996644626468, 1413.5
+0.5956577518997336, 1411.1
+0.5819599328925293, 1408.7
+0.5679857890062173, 1406.1
+0.5540807263396823, 1403.4
+0.5401460574360999, 1400.6
+0.5263199447350242, 1397.8
+0.5124247508141715, 1394.8
+0.49864798184150794, 1392.3
+0.48498963781703347, 1388.9
+0.4709661502023093, 1386.0
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+0.1316391986578506, 633.49
+0.1289845060692786, 581.11
+0.1115859074311655, 544.44
+0.09708773314911674, 537.71
+0.08266554820882266, 533.49
+0.0688868054870226, 529.35
+0.05518799960525017, 524.71
+0.04177045297542682, 518.59
+0.00863692884634363, 482.67
+0.003195993289252936, 448.59
+0.0018709168064738972, 415.76
+0.0013190565479127604, 383.81
+##END=$$ End of the data block
+
+
+`;
+var _default = exports.default = aifJcamp2;