SpecProc 1.0.0__py3-none-any.whl

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Files changed (61) hide show
  1. specproc/__init__.py +9 -0
  2. specproc/calib_data/linelists/FeAr.dat +375 -0
  3. specproc/calib_data/linelists/README +79 -0
  4. specproc/calib_data/linelists/airvac.cl +61 -0
  5. specproc/calib_data/linelists/argon.dat +161 -0
  6. specproc/calib_data/linelists/ctiohear.dat +106 -0
  7. specproc/calib_data/linelists/ctiohenear.dat +146 -0
  8. specproc/calib_data/linelists/cuar.dat +459 -0
  9. specproc/calib_data/linelists/henear.dat +93 -0
  10. specproc/calib_data/linelists/henearhres.dat +300 -0
  11. specproc/calib_data/linelists/idhenear.dat +127 -0
  12. specproc/calib_data/linelists/krypton.dat +109 -0
  13. specproc/calib_data/linelists/lowskylines.dat +577 -0
  14. specproc/calib_data/linelists/ohlines.dat +268 -0
  15. specproc/calib_data/linelists/skylines.dat +1385 -0
  16. specproc/calib_data/linelists/thar-noao.dat +4169 -0
  17. specproc/calib_data/linelists/thar.dat +3057 -0
  18. specproc/calib_data/linelists/thorium.dat +3057 -0
  19. specproc/calib_data/linelists/vacidhenear.dat +127 -0
  20. specproc/calib_data/linelists/vacthar.dat +3057 -0
  21. specproc/calib_data/linelists/vacthorium.dat +3057 -0
  22. specproc/calib_data/linelists/xenon.dat +89 -0
  23. specproc/calib_data/telescopes/lijiang24hrs/lijiang24_hrs_thar_lines.csv +550 -0
  24. specproc/calib_data/telescopes/xinglong216bfosc/BFOSC/345/256/232/346/240/207/347/201/257/350/260/261/350/256/244/350/257/201/346/211/213/345/206/214v171118.pdf +0 -0
  25. specproc/calib_data/telescopes/xinglong216bfosc//346/212/245/345/221/212/345/233/276.docx +0 -0
  26. specproc/calib_data/telescopes/xinglong216hrs/216HRS /347/201/257/350/260/261/350/257/201/350/256/244/346/226/207/344/273/266.pdf +0 -0
  27. specproc/calib_data/telescopes/xinglong216hrs/wlcalib_20211123011_A.png +0 -0
  28. specproc/calib_data/telescopes/xinglong216hrs/xinglong216_thar_lines.csv +517 -0
  29. specproc/config/__init__.py +1 -0
  30. specproc/config/config_manager.py +431 -0
  31. specproc/core/__init__.py +1 -0
  32. specproc/core/basic_reduction.py +615 -0
  33. specproc/core/data_structures.py +525 -0
  34. specproc/core/de_blazing.py +210 -0
  35. specproc/core/extraction.py +375 -0
  36. specproc/core/flat_correction.py +1255 -0
  37. specproc/core/line_identification.py +302 -0
  38. specproc/core/order_stitching.py +187 -0
  39. specproc/core/order_tracing.py +1587 -0
  40. specproc/core/processing_pipeline.py +1183 -0
  41. specproc/core/scattered_light.py +654 -0
  42. specproc/core/slit_pipeline.py +762 -0
  43. specproc/core/wave_calibration.py +961 -0
  44. specproc/gui/__init__.py +1 -0
  45. specproc/gui/line_identifier.py +731 -0
  46. specproc/gui/main_window.py +2315 -0
  47. specproc/gui/settings_dialog.py +946 -0
  48. specproc/main.py +388 -0
  49. specproc/plotting/__init__.py +1 -0
  50. specproc/plotting/spectra_plotter.py +483 -0
  51. specproc/utils/__init__.py +1 -0
  52. specproc/utils/airvac.py +123 -0
  53. specproc/utils/fits_io.py +269 -0
  54. specproc/utils/image_processing.py +426 -0
  55. specproc/utils/overscan.py +600 -0
  56. specproc-1.0.0.dist-info/METADATA +668 -0
  57. specproc-1.0.0.dist-info/RECORD +61 -0
  58. specproc-1.0.0.dist-info/WHEEL +5 -0
  59. specproc-1.0.0.dist-info/entry_points.txt +5 -0
  60. specproc-1.0.0.dist-info/licenses/LICENSE +674 -0
  61. specproc-1.0.0.dist-info/top_level.txt +1 -0
specproc/__init__.py ADDED
@@ -0,0 +1,9 @@
1
+ """
2
+ SpecProc: PyQt GUI application for echelle spectrograph FITS data processing.
3
+
4
+ A complete spectral reduction pipeline inspired by the gamse package,
5
+ providing both automated and step-by-step processing with interactive visualization.
6
+ """
7
+
8
+ __version__ = "0.1.0"
9
+ __author__ = "Spectral Processing Team"
@@ -0,0 +1,375 @@
1
+ # FEAR - FeAr Line List 3000A-10,000A by D. Willmarth
2
+ # units Angstroms
3
+
4
+ 3020.6391 FeI
5
+ 3024.0325 FeI
6
+ 3037.3887 FeI
7
+ 3047.6043 FeI
8
+ 3057.4456 FeI
9
+ 3059.0856 FeI
10
+ 3225.7850 FeI
11
+ 3243.6887 ArII
12
+ 3350.9243 ArII
13
+ 3376.4359 ArII
14
+ 3388.5309 ArII
15
+ 3399.3335 FeI
16
+ 3404.3535 FeI
17
+ 3407.4585 FeI
18
+ 3413.1312 FeI
19
+ 3427.1192 FeI
20
+ 3443.8762 FeI
21
+ 3465.8603 FeI
22
+ 3475.4500 FeI
23
+ 3476.7016 FeI
24
+ 3480.5055 ArII
25
+ 3490.5737 FeI
26
+ 3509.7785 ArII
27
+ 3519.9936 ArII
28
+ 3535.3196 ArII
29
+ 3541.0832 FeI
30
+ 3548.5144 ArII
31
+ 3559.5081 ArII
32
+ 3561.0304 ArII
33
+ 3565.3786 FeI
34
+ 3576.6156 ArII
35
+ 3581.1925 FeI
36
+ 3588.4407 ArII
37
+ 3608.8587 FeI
38
+ 3618.7676 FeI
39
+ 3631.4629 FeI
40
+ 3647.8424 FeI
41
+ 3679.9132 FeI
42
+ 3687.4564 FeI
43
+ 3705.5657 FeI
44
+ 3709.2459 FeI
45
+ 3718.2065 ArII
46
+ 3719.9346 FeI
47
+ 3722.5625 FeI
48
+ 3727.6187 FeI
49
+ 3729.3087 ArII
50
+ 3733.3169 FeI
51
+ 3734.8636 FeI
52
+ 3737.1313 FeI
53
+ 3745.5608 FeI
54
+ 3748.2617 FeI
55
+ 3749.4847 FeI
56
+ 3758.2324 FeI
57
+ 3763.7885 FeI
58
+ 3767.1914 FeI
59
+ 3812.9641 FeI
60
+ 3815.8397 FeI
61
+ 3820.4251 FeI
62
+ 3824.4436 FeI
63
+ 3825.8805 FeI
64
+ 3827.8226 FeI
65
+ 3834.2222 FeI
66
+ 3856.3717 FeI
67
+ 3859.9114 FeI
68
+ 3868.5284 ArII
69
+ 3878.5730 FeI
70
+ 3886.2820 FeI
71
+ 3895.6558 FeI
72
+ 3899.7073 FeI
73
+ 3902.9452 FeI
74
+ 3906.4794 FeI
75
+ 3920.2577 FeI
76
+ 3922.9115 FeI
77
+ 3925.7188 ArII
78
+ 3930.2962 FeI
79
+ 3946.0971 ArII
80
+ 3948.9789 ArI
81
+ 3969.2570 FeI
82
+ 3979.3559 ArII
83
+ 3994.7918 ArII
84
+ 4005.2414 FeI
85
+ 4033.8093 ArII
86
+ 4042.8937 ArII
87
+ 4044.4179 ArI
88
+ 4045.8130 FeI
89
+ 4052.9208 ArII
90
+ 4063.5939 FeI
91
+ 4103.9121 ArII
92
+ 4118.5442 FeI
93
+ 4131.7235 ArII
94
+ 4143.8688 FeI
95
+ 4158.5905 ArI
96
+ 4164.1795 ArI
97
+ 4198.3036 FeI
98
+ 4200.6745 ArI
99
+ 4216.1828 FeI
100
+ 4222.6373 FeI
101
+ 4237.2198 ArII
102
+ 4259.3619 ArI
103
+ 4271.7593 FeI
104
+ 4277.5282 ArII
105
+ 4294.1243 FeI
106
+ 4300.1008 ArI
107
+ 4307.9015 FeI
108
+ 4315.0837 FeI
109
+ 4325.7615 FeI
110
+ 4331.1995 ArII
111
+ 4333.5612 ArI
112
+ 4335.3379 ArI
113
+ 4337.0708 ArII
114
+ 4345.1680 ArII
115
+ 4348.0640 ArII
116
+ 4352.2049 ArII
117
+ 4362.0662 ArII
118
+ 4367.8316 ArII
119
+ 4375.9294 FeI
120
+ 4379.6668 ArII
121
+ 4383.5445 FeI
122
+ 4385.0566 ArII
123
+ 4400.9863 ArII
124
+ 4404.7499 FeI
125
+ 4415.1222 FeI
126
+ 4426.0011 ArII
127
+ 4427.3039 FeI
128
+ 4430.1890 ArII
129
+ 4433.8380 ArII
130
+ 4439.4614 ArII
131
+ 4448.8792 ArII
132
+ 4461.6521 FeI
133
+ 4466.5508 FeI
134
+ 4474.7594 ArII
135
+ 4481.8107 ArII
136
+ 4489.7389 FeI
137
+ 4490.9816 ArII
138
+ 4498.5384 ArII
139
+ 4502.9268 ArII
140
+ 4510.7332 ArI
141
+ 4522.3230 ArI
142
+ 4528.6133 FeI
143
+ 4530.5523 FeI
144
+ 4545.0519 ArII
145
+ 4579.3495 ArII
146
+ 4589.8978 ArII
147
+ 4596.0967 ArI
148
+ 4598.7627 ArII
149
+ 4609.5673 ArII
150
+ 4628.4409 ArI
151
+ 4637.2328 ArII
152
+ 4647.4329 FeI
153
+ 4657.9012 ArII
154
+ 4702.3161 ArI
155
+ 4726.8683 ArII
156
+ 4732.0532 ArII
157
+ 4735.9058 ArII
158
+ 4764.8646 ArII
159
+ 4806.0205 ArII
160
+ 4847.8095 ArII
161
+ 4859.7406 FeI
162
+ 4879.8635 ArII
163
+ 4889.0422 ArII
164
+ 4891.4919 FeI
165
+ 4920.5018 FeI
166
+ 4933.2091 ArII
167
+ 4957.5966 FeI
168
+ 4965.0795 ArII
169
+ 4972.1597 ArII
170
+ 5006.1175 FeI
171
+ 5009.3344 ArII
172
+ 5012.0674 FeI
173
+ 5017.1628 ArII
174
+ 5051.6336 FeI
175
+ 5062.0371 ArII
176
+ 5083.3377 FeI
177
+ 5090.4951 ArII
178
+ 5110.3849 FeI
179
+ 5125.7654 ArII
180
+ 5141.7827 ArII
181
+ 5145.3083 ArII
182
+ 5162.2846 ArI
183
+ 5167.4873 FeI
184
+ 5171.5953 FeI
185
+ 5187.7462 ArI
186
+ 5194.9412 FeI
187
+ 5221.2710 ArI
188
+ 5227.1697 FeI
189
+ 5232.9394 FeI
190
+ 5266.5546 FeI
191
+ 5269.5366 FeI
192
+ 5283.6206 FeI
193
+ 5302.2989 FeI
194
+ 5324.1782 FeI
195
+ 5328.0376 FeI
196
+ 5341.0233 FeI
197
+ 5371.4892 FeI
198
+ 5397.1269 FeI
199
+ 5405.7741 FeI
200
+ 5415.1997 FeI
201
+ 5421.3517 ArI
202
+ 5424.0686 FeI
203
+ 5429.6955 FeI
204
+ 5434.5228 FeI
205
+ 5439.9891 ArI
206
+ 5446.8937 FeI
207
+ 5451.6520 ArI
208
+ 5455.6090 FeI
209
+ 5495.8738 ArI
210
+ 5514.3760 ArI
211
+ 5524.9570 ArI
212
+ 5558.7020 ArI
213
+ 5569.6177 FeI
214
+ 5577.6845 ArII
215
+ 5586.7553 FeI
216
+ 5606.7330 ArI
217
+ 5615.6436 FeI
218
+ 5648.6863 ArI
219
+ 5650.7043 ArI
220
+ 5681.9001 ArI
221
+ 5691.6612 ArII
222
+ 5739.5196 ArI
223
+ 5783.5360 ArI
224
+ 5786.5553 ArII
225
+ 5802.0798 ArI
226
+ 5812.7592 ArII
227
+ 5834.2633 ArI
228
+ 5860.3103 ArI
229
+ 5882.6242 ArI
230
+ 5888.5841 ArI
231
+ 5912.0853 ArI
232
+ 5916.5992 ArI
233
+ 5927.1258 ArI
234
+ 5928.8130 ArI
235
+ 5942.6686 ArI
236
+ 5949.2583 ArI
237
+ 5964.4723 ArI
238
+ 5968.3199 ArI
239
+ 5971.6008 ArI
240
+ 5987.3016 ArI
241
+ 5998.9987 ArI
242
+ 6005.7242 ArI
243
+ 6013.6777 ArI
244
+ 6025.1500 ArI
245
+ 6032.1274 ArI
246
+ 6043.2233 ArI
247
+ 6046.8977 ArI
248
+ 6052.7229 ArI
249
+ 6059.3725 ArI
250
+ 6081.2433 ArI
251
+ 6085.8797 ArI
252
+ 6090.7848 ArI
253
+ 6098.8031 ArI
254
+ 6105.6351 ArI
255
+ 6114.9234 ArII
256
+ 6123.3619 ArII
257
+ 6127.4160 ArI
258
+ 6145.4411 ArI
259
+ 6155.2385 ArI
260
+ 6165.1232 ArI
261
+ 6170.1740 ArII
262
+ 6172.2778 FeI
263
+ 6191.5583 ArII
264
+ 6201.1002 ArI
265
+ 6212.5031 ArI
266
+ 6215.9383 FeI
267
+ 6230.7260 ArII
268
+ 6243.1201 FeI
269
+ 6246.3172 ArI
270
+ 6248.4055 FeI
271
+ 6252.5537 FeI
272
+ 6296.8722 ArI
273
+ 6307.6570 ArII
274
+ 6324.4163 ArI
275
+ 6364.8937 ArI
276
+ 6369.5748 ArI
277
+ 6384.7169 FeI
278
+ 6399.9995 ArII
279
+ 6403.0128 FeI
280
+ 6411.6468 ArI
281
+ 6416.3071 ArII
282
+ 6437.6003 ArI
283
+ 6466.5526 ArII
284
+ 6483.0825 ArII
285
+ 6538.1120 ArI
286
+ 6604.8534 ArI
287
+ 6614.3475 ArII
288
+ 6620.9665 ArII
289
+ 6632.0837 ArI
290
+ 6638.2207 ArII
291
+ 6639.7403 ArII
292
+ 6643.6976 ArII
293
+ 6656.9386 ArI
294
+ 6660.6761 ArI
295
+ 6664.0510 ArI
296
+ 6666.3588 ArII
297
+ 6677.2817 ArI
298
+ 6684.2929 ArII
299
+ 6719.2184 ArI
300
+ 6752.8335 ArI
301
+ 6766.6117 ArI
302
+ 6861.2688 ArII
303
+ 6871.2891 ArI
304
+ 6879.5824 ArI
305
+ 6888.1742 ArI
306
+ 6937.6642 ArI
307
+ 6951.4776 ArI
308
+ 6965.4307 ArI
309
+ 7030.2514 ArI
310
+ 7067.2181 ArI
311
+ 7107.4778 ArI
312
+ 7125.8200 ArI
313
+ 7147.0416 ArI
314
+ 7158.8387 ArI
315
+ 7206.9804 ArI
316
+ 7265.1724 ArI
317
+ 7272.9359 ArI
318
+ 7311.7159 ArI
319
+ 7316.0050 ArI
320
+ 7353.2930 ArI
321
+ 7372.1184 ArI
322
+ 7383.9805 ArI
323
+ 7392.9801 ArI
324
+ 7412.3368 ArI
325
+ 7425.2942 ArI
326
+ 7435.3683 ArI
327
+ 7471.1641 ArI
328
+ 7484.3267 ArI
329
+ 7503.8691 ArI
330
+ 7514.6518 ArI
331
+ 7589.3151 ArII
332
+ 7635.1060 ArI
333
+ 7670.0575 ArI
334
+ 7798.5604 ArI
335
+ 7868.1946 ArI
336
+ 7891.0750 ArI
337
+ 7916.4420 ArI
338
+ 7948.1764 ArI
339
+ 7948.1964 ArI
340
+ 8006.1567 ArI
341
+ 8014.7857 ArI
342
+ 8037.2183 ArI
343
+ 8046.1169 ArI
344
+ 8053.3085 ArI
345
+ 8066.6046 ArI
346
+ 8103.6931 ArI
347
+ 8115.3110 ArI
348
+ 8143.5050 ArI
349
+ 8203.4352 ArI
350
+ 8264.5225 ArI
351
+ 8327.0526 FeI
352
+ 8384.7240 ArI
353
+ 8387.7700 FeI
354
+ 8408.2096 ArI
355
+ 8424.6475 ArI
356
+ 8490.3065 ArI
357
+ 8521.4422 ArI
358
+ 8605.7762 ArI
359
+ 8620.4602 ArI
360
+ 8667.9442 ArI
361
+ 8688.6213 FeI
362
+ 8761.6862 ArI
363
+ 8799.0875 ArI
364
+ 8962.1468 ArI
365
+ 9008.4636 ArII
366
+ 9017.5912 ArII
367
+ 9122.9674 ArI
368
+ 9194.6385 ArI
369
+ 9224.4992 ArI
370
+ 9291.5313 ArI
371
+ 9354.2198 ArI
372
+ 9508.4513 ArI
373
+ 9657.7863 ArI
374
+ 9784.5028 ArI
375
+ 10470.0535 ArI
@@ -0,0 +1,79 @@
1
+ This directory contains line lists which are used by IDENTIFY/REIDENTIFY.
2
+ There may additional applications using these lists in the future.
3
+
4
+ LINE LISTS
5
+ (eg coordlist = linelists$henear.dat)
6
+
7
+ argon.dat - Vacuum wavelengths of the infrared emission lines of argon.
8
+ The second column lists relative intensities. The data
9
+ are from "Wavelength Standards in the Infrared", K.N. Rao
10
+ et al., 1966.
11
+ ctiohenear.dat - HENEAR list used at CTIO
12
+ ctiohear.dat - HEAR list used at CTIO
13
+ cuar.dat - A linelist for the built-in comparison source for the KPNO
14
+ Hydra instrument consisting of 6 CuAr hollow cathode
15
+ lamps. The identifications are from Coude Echelle
16
+ spectra and a list from AAO (Schinckel, Phillips, and
17
+ Hill). All wavelengths are from Norlen (Physica Scripta.
18
+ Vol 8, 249-268, 1973) except for a few CuI lines from
19
+ Striganov and Sventitskii (Tables of Spectral Lines of
20
+ Neutral and Ionized Atoms, 1968).
21
+ fear.dat - FeAr Hollow Cathode line list between 3,000A and 10,000A.
22
+ The reference for this line list is "A CCD Atlas of
23
+ Comparison Spectra: FeAr Hollow Cathode, 3000A - 10,000A"
24
+ by D. Willmarth. The atlas is available from the
25
+ KPNO User Support Office.
26
+ henear.dat - Selected list of HENEAR lines to be used for
27
+ KPNO IIDS/IRS reductions - this list is identical to
28
+ that in the KPNO mountain reduction software for these
29
+ instruments. Source of wavelengths: 1982 MIT
30
+ Wavelength Tables Vol. 2. Multiplet numbers from
31
+ Charlotte Moore's A Multiplet Table of Astrophysical
32
+ Interest 1972.
33
+ henearhres.dat - High resolution list of HENEAR lines covering the wavelength
34
+ range 3300A - 11,100A. See "A CCD Atlas of Comparison
35
+ Spectra: He-Ne-Ar, 3300A - 11,100A" by Daryl Willmarth,
36
+ April 1993.
37
+ idhenear.dat - Extended list of HENEAR lines for general use.
38
+ Source of wavelengths: 1982 MIT Wavelength Tables Vol. 2.
39
+ Multiplet numbers from Charlotte Moore's A Multiplet Table
40
+ of Astrophysical Interest 1972.
41
+ krypton.dat - Vacuum wavelengths of the infrared emission lines of krypton.
42
+ The second column lists relative intensities. The data
43
+ are from "Wavelength Standards in the Infrared", K.N. Rao
44
+ et al., 1966.
45
+ lowskylines.dat - Rest (air) wavelengths of all the OH vibration-rotation
46
+ lines in the sky spectrum, useful for low dispersion
47
+ spectra - see "Sky Spectra at a Light-Polluted Site and
48
+ Wavelength Zero Points", Osterbrock and Martel, UCO/LO
49
+ Bulletin No. __ .
50
+ ohlines.dat - Vacuum wavelengths from calculations of Chamberlain
51
+ (lambda < 1.20microns) and laboratory observations of Hubbard
52
+ and Brault using the Solar FTS (lambda > 1.2microns).
53
+ The second column gives the observed intensity in kR
54
+ (Steed and Baker 1979, Appl. Opt., 18, 3386) of observed
55
+ atmospheric lines.
56
+ skylines.dat - Night sky lines from various sources compiled by Don
57
+ York. See file header for comments.
58
+ thar.dat - List of thorium-argon lines (3180 - 9665),
59
+ A CCD Atlas of Comparison Spectra: Thorium-Argon Hollow
60
+ Cathode 3180 A - 9665 A, revised Feb. 1992, Daryl Willmarth.
61
+ vacidhenear.dat - The idhenear.dat list converted to vacuum wavelengths
62
+ using the equation: (n-1) x 10**8 = 8342.13 + 2406030
63
+ (130 - sigma**2)**-1 + 15997(38.9 - sigma**2)**-1
64
+ where sigma = 1/lambda(air) and air at T=15C, P=760mmHg, and
65
+ no water vapour. (See B. Edlen, 1966
66
+ Metrologia, Vol. 2, p. 71).
67
+ vacthar.dat - The thar.dat list converted to vacuum wavelengths
68
+ using the equation: (n-1) x 10**8 = 8342.13 + 2406030
69
+ (130 - sigma**2)**-1 + 15997(38.9 - sigma**2)**-1
70
+ where sigma = 1/lambda(air) and air at T=15C, P=760mmHg, and
71
+ no water vapour. (See B. Edlen, 1966
72
+ Metrologia, Vol. 2, p. 71).
73
+ xenon.dat - Vacuum wavelengths of the infrared emission lines of xenon.
74
+ The second column lists relative intensities. The data
75
+ are from "Wavelength Standards in the Infrared", K.N. Rao
76
+ et al., 1966.
77
+
78
+ thorium.dat - Obsolete and will disappear in the future. Use thar.dat.
79
+ vacthorium.dat - Obsolete and will disappear in the furture. Use vacthar.dat.
@@ -0,0 +1,61 @@
1
+ # AIRVAC -- Convert dispersion coordinates to air or vacuum values.
2
+ # The index of refraction formulas used are from Allen's Astrophysical
3
+ # Quantities (1973).
4
+ #
5
+ # This task takes in a file of wavelengths in Angstroms and converts between
6
+ # air and vacuum to an output file of wavelengths in Angstroms. It will
7
+ # pass any comments and data after the first wavelength column to the
8
+ # output.
9
+ #
10
+ # To install and use copy the script to your IRAF home directory with the
11
+ # name airvac.cl. Then interactively (for use during the current IRAF session)
12
+ # or in your loginuser.cl (for use during future IRAF sessions) enter
13
+ # "task airvac=home$airvac.cl".
14
+
15
+ procedure airvac (input, output)
16
+
17
+ file input {prompt="Input file of wavelengths in Angstroms"}
18
+ file output {prompt="Output file of wavelengths in Angstroms"}
19
+ string type = "air2vac" {prompt="Conversion (air2vac|vac2air)",
20
+ enum = "air2vac|vac2air"}
21
+ real t = 15. {prompt="Temperature (C)"}
22
+ real p = 760. {prompt="Pressure (mmHg)"}
23
+ real f = 4. {prompt="Water vapour pressure (mmHg)"}
24
+
25
+ struct *inlist
26
+
27
+ begin
28
+ file in, out
29
+ struct label
30
+ int n
31
+ real a, b, w
32
+
33
+ in = input
34
+ out = output
35
+
36
+ printf ("# airvac (%s, %s, type=%s, t=%.6g, p=%.6g, f=%.6g)\n",
37
+ in, out, type, t, p, f, > out)
38
+
39
+ inlist = input
40
+ while (fscan (inlist, line) != EOF) {
41
+ n = fscan (line, w, label)
42
+ if (n == 0) {
43
+ print (line, >> out)
44
+ next
45
+ }
46
+
47
+ b = (10000. / w) ** 2
48
+ a = 64.328 + 29498.1 / (146 - b) + 255.4 / (41 - b)
49
+ a = a * p * (1 + (1.049 - 0.0157 * t) * 1e-6 * p) /
50
+ (720.883 * (1 + 0.003661 * t))
51
+ a = a - (0.0624 - 0.000680 * b) / (1 + 0.003661 * t) * f
52
+ a = 1 + a / 1e6
53
+ if (type == "air2vac")
54
+ w = a * w
55
+ else if (type == "vac2air")
56
+ w = w / a
57
+
58
+ print (w, label, >> out)
59
+ }
60
+ inlist = ""
61
+ end
@@ -0,0 +1,161 @@
1
+ # units Angstroms
2
+ 11081.9 10
3
+ 11109.5 3
4
+ 11396.8 8
5
+ 11445. 12
6
+ 11470.7 6
7
+ 11491.2 120
8
+ 11583.5 1
9
+ 11671.9 200
10
+ 11690.8 1
11
+ 11722.7 10
12
+ 11736.4 9
13
+ 11887.7 4
14
+ 11899.9 1
15
+ 11946.6 12
16
+ 11947.1 B
17
+ 12029.9 2
18
+ 12115.6 150
19
+ 12143. 30
20
+ 12154.7 2
21
+ 12346.8 30
22
+ 12359.7 10
23
+ 12406.2 100
24
+ 12442.7 300
25
+ 12459.5 100
26
+ 12491.1 200
27
+ 12557.7 2
28
+ 12625.1 2
29
+ 12705.7 100
30
+ 12736.9 30
31
+ 12749.7 12
32
+ 12806.2 200
33
+ 12936.7 40
34
+ 12960.2 500
35
+ 13011.8 200
36
+ 13032. 2
37
+ 13217.6 200
38
+ 13231.7 200
39
+ 13234.5 200
40
+ 13276.3 500
41
+ 13305.9 4
42
+ 13316.8 800
43
+ 13333.8 6
44
+ 13370.8 1000
45
+ 13410.2 100
46
+ 13503.1 30
47
+ 13507.9 1000
48
+ 13547.9 8
49
+ 13577.3 12
50
+ 13603. 40
51
+ 13626.4 400
52
+ 13682.3 200
53
+ 13722.3 1000
54
+ 13829.5 B
55
+ 13832.1 9
56
+ 13911.3 8
57
+ 13914.4 50
58
+ 14097.5 150
59
+ 14253.1 8
60
+ 14260.8 13
61
+ 14599.7 11
62
+ 14600.5 B
63
+ 14638.4 30
64
+ 14654.3 30
65
+ 14697.4 4
66
+ 14743.2 5
67
+ 15050.6 100
68
+ 15176.8 25
69
+ 15306.1 40
70
+ 15333.5 9
71
+ 15353. 7
72
+ 15357.3 3
73
+ 15406.8 6
74
+ 15904. 10
75
+ 15993.9 25
76
+ 16127.1 1
77
+ 16184.4 4
78
+ 16441.1 13
79
+ 16524.4 30
80
+ 16553.8 8
81
+ 16744.6 9
82
+ 16945.2 500
83
+ 17449.7 11
84
+ 17450. B
85
+ 17828.9 5
86
+ 17919.6 40
87
+ 18423.2 2
88
+ 18432.8 10
89
+ 18433.4 B
90
+ 18434.5 B
91
+ 19822.9 5
92
+ 19971.2 4
93
+ 20322.6 2
94
+ 20621.9 50
95
+ 20652.8 2
96
+ 20739.3 2
97
+ 20741. B
98
+ 20816.7 2
99
+ 20991.8 30
100
+ 21338.7 1
101
+ 21540.1 8
102
+ 22045.6 1
103
+ 22083.2 8
104
+ 23139.5 20
105
+ 23851.5 1
106
+ 23973.1 20
107
+ 25132.1 25
108
+ 25491.6 3
109
+ 25512.2 8
110
+ 25668. 10
111
+ 26843. 4
112
+ 26917.1 40
113
+ 27233. 3
114
+ 28202.4 30
115
+ 28246. 30
116
+ 28321.8 25
117
+ 28435. 1
118
+ 28538.4 3
119
+ 28620.2 200
120
+ 28697.9 50
121
+ 28712.8 5
122
+ 28782.9 500
123
+ 28843.1 100
124
+ 28989.2 2
125
+ 29108.5 3
126
+ 29134.8 50
127
+ 29262.9 4
128
+ 29280.7 20
129
+ 29566.3 3
130
+ 29796.8 250
131
+ 30462.1 4
132
+ 30552.8 2
133
+ 30996.2 10
134
+ 31333. 100
135
+ 31727.3 5
136
+ 32256.3 3
137
+ 32305.9 1
138
+ 32333.9 5
139
+ 32888.6 4
140
+ 33078.8 15
141
+ 33148.4 15
142
+ 33293.4 10
143
+ 34960.5 1
144
+ 36220.9 8
145
+ 36312.4 3
146
+ 36390.5 2
147
+ 36395. 2
148
+ 36492. 10
149
+ 37013.6 2
150
+ 37085.9 5
151
+ 37143.5 3
152
+ 37186.2 1
153
+ 37261.2 2
154
+ 38120.7 3
155
+ 38331.2 1
156
+ 39664.3 1
157
+ 39670.7 1
158
+ 40080.4 2
159
+ 40164.8 1
160
+ 40169.7 1
161
+ 40433.1 3