@complat/react-spectra-editor 1.0.0-rc2 → 1.0.0-rc20.patch-1
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/README.md +16 -0
- package/dist/__tests__/fixtures/aif_jcamp_1.js +136 -0
- package/dist/__tests__/fixtures/aif_jcamp_2.js +122 -0
- package/dist/__tests__/fixtures/backup/nmr1h_a.js +3518 -0
- package/dist/__tests__/fixtures/backup/xrd_jcamp_1.js +10705 -0
- package/dist/__tests__/fixtures/cds_jcamp.js +861 -0
- package/dist/__tests__/fixtures/compare_ir_1_jcamp.js +585 -0
- package/dist/__tests__/fixtures/compare_ir_2_jcamp.js +515 -0
- package/dist/__tests__/fixtures/compare_uv_vis_jcamp.js +640 -0
- package/dist/__tests__/fixtures/cyclic_voltammetry_1.js +778 -0
- package/dist/__tests__/fixtures/cyclic_voltammetry_2.js +758 -0
- package/dist/__tests__/fixtures/cyclic_voltammetry_3.js +759 -0
- package/dist/__tests__/fixtures/dls_acf_jcamp.js +148 -0
- package/dist/__tests__/fixtures/dls_intensity_jcamp.js +151 -0
- package/dist/__tests__/fixtures/emissions_jcamp.js +883 -0
- package/dist/__tests__/fixtures/hplc_uvvis_jcamp.js +638 -0
- package/dist/__tests__/fixtures/hplc_uvvis_jcamp_2.js +221 -0
- package/dist/__tests__/fixtures/ir_jcamp.js +148 -0
- package/dist/__tests__/fixtures/ir_result.js +46 -0
- package/dist/__tests__/fixtures/ir_svg.js +8 -0
- package/dist/__tests__/fixtures/ms_jcamp.js +64 -0
- package/dist/__tests__/fixtures/nmr13c_dept_jcamp.js +3543 -0
- package/dist/__tests__/fixtures/nmr13c_jcamp.js +1229 -0
- package/dist/__tests__/fixtures/nmr15n_jcamp.js +7177 -0
- package/dist/__tests__/fixtures/nmr19f_jcamp.js +6560 -0
- package/dist/__tests__/fixtures/nmr1h_2_jcamp.js +2005 -0
- package/dist/__tests__/fixtures/nmr1h_jcamp.js +4516 -0
- package/dist/__tests__/fixtures/nmr29si_jcamp.js +3029 -0
- package/dist/__tests__/fixtures/nmr31p_jcamp.js +3418 -0
- package/dist/__tests__/fixtures/nmr_result.js +68 -0
- package/dist/__tests__/fixtures/nmr_svg.js +8 -0
- package/dist/__tests__/fixtures/phenylalanin.js +142 -0
- package/dist/__tests__/fixtures/qDescValue.js +65 -0
- package/dist/__tests__/fixtures/raman_jcamp.js +410 -0
- package/dist/__tests__/fixtures/sec_1_jcamp.js +425 -0
- package/dist/__tests__/fixtures/sec_2_jcamp.js +407 -0
- package/dist/__tests__/fixtures/sec_3_jcamp.js +408 -0
- package/dist/__tests__/fixtures/sec_4_jcamp.js +407 -0
- package/dist/__tests__/fixtures/tga_jcamp.js +4157 -0
- package/dist/__tests__/fixtures/uv_vis_jcamp.js +249 -0
- package/dist/__tests__/fixtures/xrd_jcamp_1.js +436 -0
- package/dist/__tests__/fixtures/xrd_jcamp_2.js +955 -0
- package/dist/__tests__/fixtures/xrd_jcamp_3.js +1871 -0
- package/dist/__tests__/units/components/panel/graph_selection.test.js +72 -0
- package/dist/__tests__/units/components/panel/peaks.test.js +87 -0
- package/dist/actions/curve.js +15 -14
- package/dist/actions/cyclic_voltammetry.js +40 -60
- package/dist/actions/edit_peak.js +8 -12
- package/dist/actions/forecast.js +16 -24
- package/dist/actions/integration.js +12 -18
- package/dist/actions/jcamp.js +16 -24
- package/dist/actions/layout.js +4 -6
- package/dist/actions/manager.js +20 -30
- package/dist/actions/meta.js +4 -6
- package/dist/actions/multiplicity.js +24 -36
- package/dist/actions/scan.js +12 -18
- package/dist/actions/shift.js +8 -12
- package/dist/actions/status.js +12 -18
- package/dist/actions/submit.js +16 -24
- package/dist/actions/threshold.js +20 -30
- package/dist/actions/ui.js +25 -31
- package/dist/actions/wavelength.js +4 -6
- package/dist/app.js +25 -23
- package/dist/components/cmd_bar/01_viewer.js +24 -34
- package/dist/components/cmd_bar/02_zoom.js +18 -28
- package/dist/components/cmd_bar/03_peak.js +50 -66
- package/dist/components/cmd_bar/04_integration.js +70 -84
- package/dist/components/cmd_bar/05_multiplicity.js +42 -56
- package/dist/components/cmd_bar/06_undo_redo.js +22 -36
- package/dist/components/cmd_bar/07_pecker.js +24 -34
- package/dist/components/cmd_bar/common.js +11 -7
- package/dist/components/cmd_bar/index.js +17 -23
- package/dist/components/cmd_bar/r01_layout.js +79 -56
- package/dist/components/cmd_bar/r02_scan.js +70 -87
- package/dist/components/cmd_bar/r03_threshold.js +54 -68
- package/dist/components/cmd_bar/r04_submit.js +71 -83
- package/dist/components/cmd_bar/r05_submit_btn.js +64 -72
- package/dist/components/cmd_bar/r06_predict_btn.js +142 -152
- package/dist/components/cmd_bar/r07_wavelength_btn.js +28 -36
- package/dist/components/cmd_bar/tri_btn.js +91 -113
- package/dist/components/common/chem.js +2 -3
- package/dist/components/common/comps.js +2 -2
- package/dist/components/common/draw.js +30 -11
- package/dist/components/d3_line/index.js +154 -176
- package/dist/components/d3_line/line_focus.js +595 -739
- package/dist/components/d3_multi/index.js +153 -174
- package/dist/components/d3_multi/multi_focus.js +725 -850
- package/dist/components/d3_rect/index.js +112 -134
- package/dist/components/d3_rect/rect_focus.js +163 -208
- package/dist/components/forecast/comps.js +60 -68
- package/dist/components/forecast/ir_comps.js +49 -56
- package/dist/components/forecast/ir_viewer.js +61 -68
- package/dist/components/forecast/nmr_comps.js +62 -72
- package/dist/components/forecast/nmr_viewer.js +59 -68
- package/dist/components/forecast/section_loading.js +39 -63
- package/dist/components/forecast_viewer.js +109 -119
- package/dist/components/multi_jcamps_viewer.js +97 -113
- package/dist/components/panel/compare.js +183 -192
- package/dist/components/panel/cyclic_voltamery_data.js +149 -165
- package/dist/components/panel/graph_selection.js +143 -132
- package/dist/components/panel/index.js +112 -144
- package/dist/components/panel/info.js +125 -132
- package/dist/components/panel/multiplicity.js +215 -223
- package/dist/components/panel/multiplicity_coupling.js +108 -136
- package/dist/components/panel/multiplicity_select.js +43 -51
- package/dist/components/panel/peaks.js +130 -132
- package/dist/constants/action_type.js +23 -39
- package/dist/constants/list_layout.js +7 -4
- package/dist/constants/list_shift.js +117 -103
- package/dist/constants/list_ui.js +3 -6
- package/dist/constants/list_wavelength.js +7 -8
- package/dist/fn.js +2 -3
- package/dist/helpers/brush.js +49 -65
- package/dist/helpers/calc.js +2 -4
- package/dist/helpers/carbonFeatures.js +22 -20
- package/dist/helpers/cfg.js +49 -67
- package/dist/helpers/chem.js +450 -393
- package/dist/helpers/compass.js +92 -83
- package/dist/helpers/converter.js +52 -65
- package/dist/helpers/extractParams.js +60 -52
- package/dist/helpers/extractPeaksEdit.js +29 -25
- package/dist/helpers/focus.js +2 -6
- package/dist/helpers/format.js +416 -361
- package/dist/helpers/init.js +41 -37
- package/dist/helpers/integration.js +18 -21
- package/dist/helpers/mount.js +57 -61
- package/dist/helpers/multiplicity.js +19 -24
- package/dist/helpers/multiplicity_calc.js +39 -50
- package/dist/helpers/multiplicity_complat.js +21 -47
- package/dist/helpers/multiplicity_manual.js +49 -55
- package/dist/helpers/multiplicity_verify_basic.js +108 -111
- package/dist/helpers/shift.js +15 -23
- package/dist/helpers/zoom.js +7 -11
- package/dist/index.js +680 -630
- package/dist/layer_content.js +40 -43
- package/dist/layer_init.js +162 -184
- package/dist/layer_prism.js +38 -41
- package/dist/reducers/index.js +2 -3
- package/dist/reducers/reducer_curve.js +35 -26
- package/dist/reducers/reducer_edit_peak.js +122 -98
- package/dist/reducers/reducer_forecast.js +57 -44
- package/dist/reducers/reducer_integration.js +135 -103
- package/dist/reducers/reducer_jcamp.js +49 -44
- package/dist/reducers/reducer_layout.js +5 -6
- package/dist/reducers/reducer_manager.js +5 -6
- package/dist/reducers/reducer_meta.js +5 -6
- package/dist/reducers/reducer_multiplicity.js +100 -77
- package/dist/reducers/reducer_scan.js +17 -20
- package/dist/reducers/reducer_shift.js +115 -70
- package/dist/reducers/reducer_simulation.js +7 -8
- package/dist/reducers/reducer_status.js +5 -6
- package/dist/reducers/reducer_submit.js +12 -15
- package/dist/reducers/reducer_threshold.js +5 -6
- package/dist/reducers/reducer_ui.js +5 -6
- package/dist/reducers/reducer_voltammetry.js +156 -96
- package/dist/reducers/reducer_wavelength.js +5 -6
- package/dist/reducers/undo_redo_config.js +3 -5
- package/dist/sagas/index.js +2 -15
- package/dist/sagas/saga_edit_peak.js +54 -68
- package/dist/sagas/saga_manager.js +86 -130
- package/dist/sagas/saga_meta.js +25 -31
- package/dist/sagas/saga_multi_entities.js +40 -103
- package/dist/sagas/saga_multiplicity.js +336 -406
- package/dist/sagas/saga_ui.js +296 -475
- package/dist/setupTests.js +8 -0
- package/dist/third_party/jAnalyzer.js +66 -67
- package/dist/third_party/peakInterval.js +34 -34
- package/package.json +14 -14
- package/dist/components/cmd_bar/03_peak_bk.js +0 -139
- package/dist/components/cmd_bar/04_integration_bk.js +0 -180
- package/dist/components/cmd_bar/05_multiplicity_bk.js +0 -131
- package/dist/components/cmd_bar/r01_layout_bk.js +0 -186
- package/dist/components/cmd_bar/r06_predict_btn_bk.js +0 -220
- package/dist/components/d3_line/line_focus_bk.js +0 -825
- package/dist/components/d3_multi/index_bk.js +0 -210
- package/dist/components/d3_multi/multi_focus_bk.js +0 -533
- package/dist/components/panel/compare_bk.js +0 -256
- package/dist/components/panel/cyclic_voltamery_data_bk.js +0 -292
- package/dist/components/panel/index_bk.js +0 -178
- package/dist/components/panel/info_bk.js +0 -235
- package/dist/components/panel/multiplicity_bk.js +0 -280
- package/dist/helpers/carbonFeatures_bk.js +0 -45
- package/dist/helpers/cfg_bk.js +0 -80
- package/dist/helpers/chem_bk.js +0 -787
- package/dist/helpers/compass_bk.js +0 -149
- package/dist/helpers/converter_bk.js +0 -96
- package/dist/helpers/extractPeaksEdit_bk.js +0 -53
- package/dist/helpers/format_bk.js +0 -497
- package/dist/index_bk.js +0 -640
- package/dist/layer_content_bk.js +0 -105
- package/dist/layer_init_bk.js +0 -235
- package/dist/layer_prism_bk.js +0 -133
- package/dist/reducers/reducer_edit_peak_bk.js +0 -108
- package/dist/reducers/reducer_integration_bk.js +0 -134
- package/dist/reducers/reducer_jcamp_bk.js +0 -71
- package/dist/reducers/reducer_multiplicity_bk.js +0 -126
- package/dist/reducers/reducer_shift_bk.js +0 -88
- package/dist/reducers/reducer_voltammetry_bk.js +0 -287
- package/dist/sagas/saga_edit_peak_bk.js +0 -73
- package/dist/sagas/saga_multi_entities_bk.js +0 -106
- package/dist/sagas/saga_multiplicity_bk.js +0 -351
- package/dist/sagas/saga_ui_bk.js +0 -453
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@@ -7,386 +7,400 @@ exports.getListShift = exports.LIST_SHIFT_31P = exports.LIST_SHIFT_29Si = export
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var _list_layout = require("./list_layout");
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name: 'Acetic acid-d4 (sept)',
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label: 'Acetic acid-d4'
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const cActicAcidD4S = {
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name: 'Acetic acid-d4 (s)',
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value: 178.990,
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label: '
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label: 'Acetic acid-d4'
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const cAcetoneD6Sep = {
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value: 29.640,
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label: 'Acetone-d6',
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nsdb: 'Acetone-D6 ((CD3)2CO)'
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};
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const cAcetoneD6Broad = {
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name: 'Acetone-d6 (broad)',
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value: 206.
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value: 206.260,
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label: 'Acetone-d6',
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nsdb: 'Acetone-D6 ((CD3)2CO)'
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const cAcetonitrileD3Sep = {
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label: 'Acetonitrile-d3',
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nsdb: 'Acetonitrile-D3(CD3CN)'
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const cAcetonitrileD3S = {
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value: 118.26,
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label: 'Acetonitrile-d3',
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const cBenzeneT = {
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value: 77.16,
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label: 'CDCl$3',
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const cDichloromethaneD2Quin = {
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label: 'Methanol-d4',
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label: 'Pyridine-d5',
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label: 'Pyridine-d5',
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name: 'Pyridine-d5 (t)-3',
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label: 'Pyridine-d5',
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nsdb: 'Pyridin-D5 (C5D5N)'
|
|
130
130
|
};
|
|
131
|
-
|
|
131
|
+
const cThfD8Quin1 = {
|
|
132
132
|
name: 'THF-d8 (quin)-1',
|
|
133
133
|
value: 25.37,
|
|
134
134
|
label: 'THF-d8 ',
|
|
135
135
|
nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
|
|
136
136
|
};
|
|
137
|
-
|
|
137
|
+
const cThfD8Quin2 = {
|
|
138
138
|
name: 'THF-d8 (quin)-2',
|
|
139
139
|
value: 67.57,
|
|
140
140
|
label: 'THF-d8 ',
|
|
141
141
|
nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
|
|
142
142
|
};
|
|
143
|
-
|
|
143
|
+
const cTmsS = {
|
|
144
144
|
name: 'TMS (s)',
|
|
145
145
|
value: 0.00,
|
|
146
146
|
label: 'TMS'
|
|
147
147
|
};
|
|
148
|
-
|
|
148
|
+
const cTolueneD8Sep1 = {
|
|
149
149
|
name: 'Toluene-d8 (sep)-1',
|
|
150
150
|
value: 20.4,
|
|
151
151
|
label: 'Toluene-d8'
|
|
152
152
|
};
|
|
153
|
-
|
|
153
|
+
const cTolueneD8T2 = {
|
|
154
154
|
name: 'Toluene-d8 (t)-2',
|
|
155
155
|
value: 125.49,
|
|
156
156
|
label: 'Toluene-d8'
|
|
157
157
|
};
|
|
158
|
-
|
|
158
|
+
const cTolueneD8T3 = {
|
|
159
159
|
name: 'Toluene-d8 (t)-3',
|
|
160
160
|
value: 128.33,
|
|
161
161
|
label: 'Toluene-d8'
|
|
162
162
|
};
|
|
163
|
-
|
|
163
|
+
const cTolueneD8T4 = {
|
|
164
164
|
name: 'Toluene-d8 (t)-4',
|
|
165
165
|
value: 129.24,
|
|
166
166
|
label: 'Toluene-d8'
|
|
167
167
|
};
|
|
168
|
-
|
|
168
|
+
const cTolueneD8T5 = {
|
|
169
169
|
name: 'Toluene-d8 (s)-5',
|
|
170
170
|
value: 137.86,
|
|
171
171
|
label: 'Toluene-d8'
|
|
172
172
|
};
|
|
173
|
-
|
|
173
|
+
const cTfaDQ1 = {
|
|
174
174
|
name: 'TFA-d (q)-1',
|
|
175
175
|
value: 116.60,
|
|
176
176
|
label: 'TFA-d'
|
|
177
177
|
};
|
|
178
|
-
|
|
178
|
+
const cTfaDQ2 = {
|
|
179
179
|
name: 'TFA-d (q)-2',
|
|
180
180
|
value: 164.20,
|
|
181
181
|
label: 'TFA-d'
|
|
182
182
|
};
|
|
183
|
-
|
|
183
|
+
const cTrifluoroethanolD3Quin = {
|
|
184
184
|
name: 'Trifluoroethanol-d3 (quin)',
|
|
185
|
-
value: 61.
|
|
185
|
+
value: 61.80,
|
|
186
186
|
label: 'Trifluoroethanol-d3'
|
|
187
187
|
};
|
|
188
|
-
|
|
188
|
+
const cTrifluoroethanolD3Broad = {
|
|
189
189
|
name: 'Trifluoroethanol-d3 (broad)',
|
|
190
|
-
value: 126.
|
|
190
|
+
value: 126.28,
|
|
191
191
|
label: 'Trifluoroethanol-d3'
|
|
192
192
|
};
|
|
193
|
-
|
|
194
|
-
|
|
195
|
-
|
|
196
|
-
|
|
193
|
+
const cC6D5Cl1 = {
|
|
194
|
+
name: 'C6D5Cl (s)',
|
|
195
|
+
value: 134.19,
|
|
196
|
+
label: 'C6D5Cl'
|
|
197
|
+
};
|
|
198
|
+
const cC6D5Cl2 = {
|
|
199
|
+
name: 'C6D5Cl (t)-1',
|
|
200
|
+
value: 129.26,
|
|
201
|
+
label: 'C6D5Cl'
|
|
202
|
+
};
|
|
203
|
+
const cC6D5Cl3 = {
|
|
204
|
+
name: 'C6D5Cl (t)-2',
|
|
205
|
+
value: 128.25,
|
|
206
|
+
label: 'C6D5Cl'
|
|
207
|
+
};
|
|
208
|
+
const cC6D5Cl4 = {
|
|
209
|
+
name: 'C6D5Cl (t)-3',
|
|
210
|
+
value: 125.96,
|
|
211
|
+
label: 'C6D5Cl'
|
|
212
|
+
};
|
|
213
|
+
const LIST_SHIFT_13C = exports.LIST_SHIFT_13C = [noReference, cActicAcidD4Sept, cActicAcidD4S, cAcetoneD6Sep, cAcetoneD6Broad, cAcetonitrileD3Sep, cAcetonitrileD3S, cBenzeneT, cChloroformDT, cCyclohexaneD12Quin, cDichloromethaneD2Quin, cDmfD7Sep1, cDmfD7Sep2, cDmfD7T3, cDioxaneD8Quin, cDmsoD6, cEthanolD6Sep, cEthanolD6Quin, cMethanolD4Sep, cPyridineD5T1, cPyridineD5T2, cPyridineD5T3, cThfD8Quin1, cThfD8Quin2, cTmsS, cTolueneD8Sep1, cTolueneD8T2, cTolueneD8T3, cTolueneD8T4, cTolueneD8T5, cTfaDQ1, cTfaDQ2, cTrifluoroethanolD3Quin, cTrifluoroethanolD3Broad, cC6D5Cl1, cC6D5Cl2, cC6D5Cl3, cC6D5Cl4];
|
|
214
|
+
const hActicAcidD4Quin = {
|
|
215
|
+
name: 'Acetic acid-d4 (quin)',
|
|
197
216
|
value: 2.04,
|
|
198
|
-
label: '
|
|
217
|
+
label: 'Acetic acid-d4'
|
|
199
218
|
};
|
|
200
|
-
|
|
201
|
-
name: '
|
|
219
|
+
const hActicAcidD4S = {
|
|
220
|
+
name: 'Acetic acid-d4 (s)',
|
|
202
221
|
value: 11.65,
|
|
203
|
-
label: '
|
|
222
|
+
label: 'Acetic acid-d4'
|
|
204
223
|
};
|
|
205
|
-
|
|
224
|
+
const hAcetoneD6Quin = {
|
|
206
225
|
name: 'Acetone-d6 (quin)',
|
|
207
226
|
value: 2.05,
|
|
208
227
|
label: 'Acetone-d6',
|
|
209
228
|
nsdb: 'Acetone-D6 ((CD3)2CO)'
|
|
210
229
|
};
|
|
211
|
-
|
|
230
|
+
const hAcetonitrileD3Qquin = {
|
|
212
231
|
name: 'Acetonitrile-d3 (quin)',
|
|
213
232
|
value: 1.94,
|
|
214
233
|
label: 'Acetonitrile-d3',
|
|
215
234
|
nsdb: 'Acetonitrile-D3(CD3CN)'
|
|
216
235
|
};
|
|
217
|
-
|
|
236
|
+
const hBenzeneS = {
|
|
218
237
|
name: 'Benzene (s)',
|
|
219
238
|
value: 7.16,
|
|
220
239
|
label: 'Benzene-d6',
|
|
221
240
|
nsdb: 'Benzene-D6 (C6D6)'
|
|
222
241
|
};
|
|
223
|
-
|
|
242
|
+
const hChloroformDS = {
|
|
224
243
|
name: 'Chloroform-d (s)',
|
|
225
|
-
value: 7.
|
|
244
|
+
value: 7.26,
|
|
226
245
|
label: 'CDCl$3',
|
|
227
246
|
nsdb: 'Chloroform-D1 (CDCl3)'
|
|
228
247
|
};
|
|
229
|
-
|
|
248
|
+
const hCyclohexaneD12S = {
|
|
230
249
|
name: 'Cyclohexane-d12 (s)',
|
|
231
250
|
value: 1.38,
|
|
232
251
|
label: 'C$6D$1$2'
|
|
233
252
|
};
|
|
234
|
-
|
|
235
|
-
name: '
|
|
236
|
-
value: 4.
|
|
253
|
+
const hDeuteriumOxideS = {
|
|
254
|
+
name: 'D2O (s)',
|
|
255
|
+
value: 4.79,
|
|
237
256
|
label: 'D$2O',
|
|
238
257
|
nsdb: 'Deuteriumoxide (D2O)'
|
|
239
258
|
};
|
|
240
|
-
|
|
259
|
+
const hDichloroethaneD4S = {
|
|
241
260
|
name: 'Dichloroethane-d4 (s)',
|
|
242
261
|
value: 3.72,
|
|
243
262
|
label: 'Dichloroethane-d4'
|
|
244
263
|
};
|
|
245
|
-
|
|
264
|
+
const hDichloromethaneD2T = {
|
|
246
265
|
name: 'Dichloromethane-d2 (t)',
|
|
247
266
|
value: 5.32,
|
|
248
267
|
label: 'CD2Cl2',
|
|
249
268
|
nsdb: 'Methylenchloride-D2 (CD2Cl2)'
|
|
250
269
|
};
|
|
251
|
-
|
|
270
|
+
const hDMFD7Quin1 = {
|
|
252
271
|
name: 'DMF-d7 (quin)-1',
|
|
253
272
|
value: 2.75,
|
|
254
273
|
label: 'DMF-d7'
|
|
255
274
|
};
|
|
256
|
-
|
|
275
|
+
const hDMFD7Quin2 = {
|
|
257
276
|
name: 'DMF-d7 (quin)-2',
|
|
258
277
|
value: 2.92,
|
|
259
278
|
label: 'DMF-d7'
|
|
260
279
|
};
|
|
261
|
-
|
|
280
|
+
const hDMFD7Broad3 = {
|
|
262
281
|
name: 'DMF-d7 (broad)-3',
|
|
263
282
|
value: 8.03,
|
|
264
283
|
label: 'DMF-d7'
|
|
265
284
|
};
|
|
266
|
-
|
|
285
|
+
const hDioxaneD8Broad = {
|
|
267
286
|
name: 'Dioxane-d8 (broad)',
|
|
268
287
|
value: 3.53,
|
|
269
288
|
label: 'Dioxane-d8'
|
|
270
289
|
};
|
|
271
|
-
|
|
290
|
+
const hDMSOD6Quin = {
|
|
272
291
|
name: 'DMSO-d6 (quin)',
|
|
273
292
|
value: 2.50,
|
|
274
293
|
label: 'DMSO-d6',
|
|
275
294
|
nsdb: 'Dimethylsulphoxide-D6 (DMSO-D6, C2D6SO)'
|
|
276
295
|
};
|
|
277
|
-
|
|
296
|
+
const hEthanolD6Broad1 = {
|
|
278
297
|
name: 'Ethanol-d6 (broad)-1',
|
|
279
298
|
value: 1.11,
|
|
280
299
|
label: 'Ethanol-d6'
|
|
281
300
|
};
|
|
282
|
-
|
|
301
|
+
const hEthanolD6S2 = {
|
|
283
302
|
name: 'Ethanol-d6 (s)-2',
|
|
284
303
|
value: 3.56,
|
|
285
304
|
label: 'Ethanol-d6'
|
|
286
305
|
};
|
|
287
|
-
|
|
306
|
+
const hEthanolD6S3 = {
|
|
288
307
|
name: 'Ethanol-d6 (s)-3',
|
|
289
308
|
value: 5.29,
|
|
290
309
|
label: 'Ethanol-d6'
|
|
291
310
|
};
|
|
292
|
-
|
|
311
|
+
const hMethanolD4Quin = {
|
|
293
312
|
name: 'Methanol-d4 (quin)',
|
|
294
313
|
value: 3.31,
|
|
295
314
|
label: 'Methanol-d4',
|
|
296
315
|
nsdb: 'Methanol-D4 (CD3OD)'
|
|
297
316
|
};
|
|
298
|
-
|
|
317
|
+
const hMethanolD4S = {
|
|
299
318
|
name: 'Methanol-d4 (s)',
|
|
300
319
|
value: 4.87,
|
|
301
320
|
label: 'Methanol-d4',
|
|
302
321
|
nsdb: 'Methanol-D4 (CD3OD)'
|
|
303
322
|
};
|
|
304
|
-
|
|
323
|
+
const hNitromethaneD3S = {
|
|
305
324
|
name: 'Nitromethane-d3 (s)',
|
|
306
325
|
value: 4.33,
|
|
307
326
|
label: 'Nitromethane-d3'
|
|
308
327
|
};
|
|
309
|
-
|
|
328
|
+
const hPyridineD5Broad1 = {
|
|
310
329
|
name: 'Pyridine-d5 (broad)-1',
|
|
311
330
|
value: 7.22,
|
|
312
331
|
label: 'Pyridine-d5',
|
|
313
332
|
nsdb: 'Pyridin-D5 (C5D5N)'
|
|
314
333
|
};
|
|
315
|
-
|
|
334
|
+
const hPyridineD5Broad2 = {
|
|
316
335
|
name: 'Pyridine-d5 (broad)-2',
|
|
317
336
|
value: 7.58,
|
|
318
337
|
label: 'Pyridine-d5',
|
|
319
338
|
nsdb: 'Pyridin-D5 (C5D5N)'
|
|
320
339
|
};
|
|
321
|
-
|
|
340
|
+
const hPyridineD5Broad3 = {
|
|
322
341
|
name: 'Pyridine-d5 (broad)-3',
|
|
323
342
|
value: 8.74,
|
|
324
343
|
label: 'Pyridine-d5',
|
|
325
344
|
nsdb: 'Pyridin-D5 (C5D5N)'
|
|
326
345
|
};
|
|
327
|
-
|
|
346
|
+
const hTHFD8S1 = {
|
|
328
347
|
name: 'THF-d8 (s)-1',
|
|
329
348
|
value: 1.73,
|
|
330
349
|
label: 'THF-d8',
|
|
331
350
|
nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
|
|
332
351
|
};
|
|
333
|
-
|
|
352
|
+
const hTHFD8S2 = {
|
|
334
353
|
name: 'THF-d8 (s)-2',
|
|
335
354
|
value: 3.58,
|
|
336
355
|
label: 'THF-d8',
|
|
337
356
|
nsdb: 'Tetrahydrofuran-D8 (THF-D8, C4D4O)'
|
|
338
357
|
};
|
|
339
|
-
|
|
358
|
+
const hTMSS = {
|
|
340
359
|
name: 'TMS (s)',
|
|
341
360
|
value: 0.0,
|
|
342
361
|
label: 'TMS'
|
|
343
362
|
};
|
|
344
|
-
|
|
363
|
+
const hTolueneD8Quin = {
|
|
345
364
|
name: 'Toluene-d8 (quin)-1',
|
|
346
365
|
value: 2.09,
|
|
347
366
|
label: 'Toluene-d8'
|
|
348
367
|
};
|
|
349
|
-
|
|
368
|
+
const hTolueneD8Boad2 = {
|
|
350
369
|
name: 'Toluene-d8 (boad)-2',
|
|
351
370
|
value: 6.98,
|
|
352
371
|
label: 'Toluene-d8'
|
|
353
372
|
};
|
|
354
|
-
|
|
373
|
+
const hTolueneD8S3 = {
|
|
355
374
|
name: 'Toluene-d8 (s)-3',
|
|
356
375
|
value: 7.00,
|
|
357
376
|
label: 'Toluene-d8'
|
|
358
377
|
};
|
|
359
|
-
|
|
378
|
+
const hTolueneD8Broad4 = {
|
|
360
379
|
name: 'Toluene-d8 (broad)-4',
|
|
361
380
|
value: 7.09,
|
|
362
381
|
label: 'Toluene-d8'
|
|
363
382
|
};
|
|
364
|
-
|
|
383
|
+
const hTFADS = {
|
|
365
384
|
name: 'TFA-d (s)',
|
|
366
385
|
value: 11.5,
|
|
367
386
|
label: 'TFA-d'
|
|
368
387
|
};
|
|
369
|
-
|
|
388
|
+
const hTrifluoroethanolD31 = {
|
|
370
389
|
name: 'Trifluoroethanol-d3-1',
|
|
371
390
|
value: 3.88,
|
|
372
391
|
label: 'Trifluoroethanol-d3'
|
|
373
392
|
};
|
|
374
|
-
|
|
393
|
+
const hTrifluoroethanolD32 = {
|
|
375
394
|
name: 'Trifluoroethanol-d3-2',
|
|
376
395
|
value: 5.02,
|
|
377
396
|
label: 'Trifluoroethanol-d3'
|
|
378
397
|
};
|
|
379
|
-
|
|
380
|
-
exports.
|
|
381
|
-
|
|
382
|
-
exports.
|
|
383
|
-
|
|
384
|
-
|
|
385
|
-
var LIST_SHIFT_15N = [];
|
|
386
|
-
exports.LIST_SHIFT_15N = LIST_SHIFT_15N;
|
|
387
|
-
var LIST_SHIFT_29Si = [];
|
|
388
|
-
exports.LIST_SHIFT_29Si = LIST_SHIFT_29Si;
|
|
389
|
-
var getListShift = function getListShift(layoutSt) {
|
|
398
|
+
const LIST_SHIFT_1H = exports.LIST_SHIFT_1H = [noReference, hActicAcidD4Quin, hActicAcidD4S, hAcetoneD6Quin, hAcetonitrileD3Qquin, hBenzeneS, hChloroformDS, hCyclohexaneD12S, hDeuteriumOxideS, hDichloroethaneD4S, hDichloromethaneD2T, hDMFD7Quin1, hDMFD7Quin2, hDMFD7Broad3, hDioxaneD8Broad, hDMSOD6Quin, hEthanolD6Broad1, hEthanolD6S2, hEthanolD6S3, hMethanolD4Quin, hMethanolD4S, hNitromethaneD3S, hPyridineD5Broad1, hPyridineD5Broad2, hPyridineD5Broad3, hTHFD8S1, hTHFD8S2, hTMSS, hTolueneD8Quin, hTolueneD8Boad2, hTolueneD8S3, hTolueneD8Broad4, hTFADS, hTrifluoroethanolD31, hTrifluoroethanolD32];
|
|
399
|
+
const LIST_SHIFT_19F = exports.LIST_SHIFT_19F = [];
|
|
400
|
+
const LIST_SHIFT_31P = exports.LIST_SHIFT_31P = [];
|
|
401
|
+
const LIST_SHIFT_15N = exports.LIST_SHIFT_15N = [];
|
|
402
|
+
const LIST_SHIFT_29Si = exports.LIST_SHIFT_29Si = [];
|
|
403
|
+
const getListShift = layoutSt => {
|
|
390
404
|
switch (layoutSt) {
|
|
391
405
|
case _list_layout.LIST_LAYOUT.H1:
|
|
392
406
|
return LIST_SHIFT_1H;
|
|
@@ -4,12 +4,11 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.LIST_UI_VIEWER_TYPE = exports.LIST_UI_SWEEP_TYPE = exports.LIST_NON_BRUSH_TYPES = void 0;
|
|
7
|
-
|
|
7
|
+
const LIST_UI_VIEWER_TYPE = exports.LIST_UI_VIEWER_TYPE = {
|
|
8
8
|
SPECTRUM: 'spectrum',
|
|
9
9
|
ANALYSIS: 'analysis'
|
|
10
10
|
};
|
|
11
|
-
exports.
|
|
12
|
-
var LIST_UI_SWEEP_TYPE = {
|
|
11
|
+
const LIST_UI_SWEEP_TYPE = exports.LIST_UI_SWEEP_TYPE = {
|
|
13
12
|
ZOOMIN: 'zoom in',
|
|
14
13
|
ZOOMRESET: 'zoom reset',
|
|
15
14
|
INTEGRATION_ADD: 'integration add',
|
|
@@ -33,6 +32,4 @@ var LIST_UI_SWEEP_TYPE = {
|
|
|
33
32
|
CYCLIC_VOLTA_RM_PECKER: 'cyclic voltammetry remove pecker',
|
|
34
33
|
CYCLIC_VOLTA_SET_REF: 'cyclic voltammetry set ref'
|
|
35
34
|
};
|
|
36
|
-
exports.
|
|
37
|
-
var LIST_NON_BRUSH_TYPES = [LIST_UI_SWEEP_TYPE.PEAK_ADD, LIST_UI_SWEEP_TYPE.PEAK_DELETE, LIST_UI_SWEEP_TYPE.ANCHOR_SHIFT, LIST_UI_SWEEP_TYPE.INTEGRATION_RM, LIST_UI_SWEEP_TYPE.INTEGRATION_SET_REF, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_ADD, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_RM, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_CLICK, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_RM, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_MAX_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_MAX_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_MIN_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_MIN_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_PECKER, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_PECKER, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_SET_REF];
|
|
38
|
-
exports.LIST_NON_BRUSH_TYPES = LIST_NON_BRUSH_TYPES;
|
|
35
|
+
const LIST_NON_BRUSH_TYPES = exports.LIST_NON_BRUSH_TYPES = [LIST_UI_SWEEP_TYPE.PEAK_ADD, LIST_UI_SWEEP_TYPE.PEAK_DELETE, LIST_UI_SWEEP_TYPE.ANCHOR_SHIFT, LIST_UI_SWEEP_TYPE.INTEGRATION_RM, LIST_UI_SWEEP_TYPE.INTEGRATION_SET_REF, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_ADD, LIST_UI_SWEEP_TYPE.MULTIPLICITY_PEAK_RM, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_CLICK, LIST_UI_SWEEP_TYPE.MULTIPLICITY_ONE_RM, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_MAX_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_MAX_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_MIN_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_MIN_PEAK, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_ADD_PECKER, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_RM_PECKER, LIST_UI_SWEEP_TYPE.CYCLIC_VOLTA_SET_REF];
|
|
@@ -4,29 +4,28 @@ Object.defineProperty(exports, "__esModule", {
|
|
|
4
4
|
value: true
|
|
5
5
|
});
|
|
6
6
|
exports.LIST_WAVE_LENGTH = void 0;
|
|
7
|
-
|
|
7
|
+
const CuKalpha = {
|
|
8
8
|
name: 'CuKalpha',
|
|
9
9
|
value: 0.15406,
|
|
10
|
-
label: 'Cu K
|
|
10
|
+
label: 'Cu K\u03B1',
|
|
11
11
|
unit: 'nm'
|
|
12
12
|
};
|
|
13
|
-
|
|
13
|
+
const Fe = {
|
|
14
14
|
name: 'Fe',
|
|
15
15
|
value: 0.19373,
|
|
16
16
|
label: 'Fe',
|
|
17
17
|
unit: 'nm'
|
|
18
18
|
};
|
|
19
|
-
|
|
19
|
+
const Co = {
|
|
20
20
|
name: 'Co',
|
|
21
21
|
value: 0.17902,
|
|
22
22
|
label: 'Co',
|
|
23
23
|
unit: 'nm'
|
|
24
24
|
};
|
|
25
|
-
|
|
25
|
+
const MoKalpha = {
|
|
26
26
|
name: 'MoKalpha',
|
|
27
27
|
value: 0.07107,
|
|
28
|
-
label: 'Mo K
|
|
28
|
+
label: 'Mo K\u03B1',
|
|
29
29
|
unit: 'nm'
|
|
30
30
|
};
|
|
31
|
-
|
|
32
|
-
exports.LIST_WAVE_LENGTH = LIST_WAVE_LENGTH;
|
|
31
|
+
const LIST_WAVE_LENGTH = exports.LIST_WAVE_LENGTH = [CuKalpha, Fe, Co, MoKalpha];
|
package/dist/fn.js
CHANGED
|
@@ -13,12 +13,11 @@ var _carbonFeatures = require("./helpers/carbonFeatures");
|
|
|
13
13
|
var _list_layout = require("./constants/list_layout");
|
|
14
14
|
/* eslint-disable prefer-object-spread */
|
|
15
15
|
|
|
16
|
-
|
|
16
|
+
const FN = Object.assign({}, _format.default, {
|
|
17
17
|
ExtractJcamp: _chem.ExtractJcamp,
|
|
18
18
|
ToXY: _converter.ToXY,
|
|
19
19
|
LIST_LAYOUT: _list_layout.LIST_LAYOUT,
|
|
20
20
|
CalcMpyCenter: _multiplicity_calc.calcMpyCenter,
|
|
21
21
|
CarbonFeatures: _carbonFeatures.carbonFeatures
|
|
22
22
|
});
|
|
23
|
-
var _default = FN;
|
|
24
|
-
exports.default = _default;
|
|
23
|
+
var _default = exports.default = FN;
|