File name: Pandora159s1_Wakkerstroom_20240805_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240805T221228.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240805_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20240805 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 77: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 79: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 80: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240805T063511.6Z 8983.274440 89 1 13.80 2 67.42 55.41 76.49 61.26 0.00 1 0.00 1 0 25 1.200e-02 6.635e-03 5.229e-03 1.251e-03 3.108009e-01 6.205389e-04 3.273523e-03 -6.000000e+00 6.762570e-03 226.09 -2.00 3.06 -2.00 317.86 0.00e+00 2.163853e-04 1.023278e-04 8.121288e-05 -6.000000e+00 2.944140e-04 276.66 -2.00 20.00 -2.00 317.23 0.00e+00 2.584 0.000 302.00 328.00 3 2.4049e+00 1.6497e-03 2.5165e-02 -6.0000e+00 1.6774e-02 1.7800e-02 1.8658e-03 1.3920e-02 -6.0000e+00 1.8276e-02 -8.7347e-03 1.1790e-03 6.8848e-03 -6.0000e+00 1.0862e-02 -6.5012e-04 6.0190e-04 1.9597e-03 -6.0000e+00 4.5965e-03 3.9541e-03 -4.9824e-04 3.5476e-05 2.1492e-05 -6.0000e+00 3.2090e-04 1.0952e-02 12 9 1 12 1 1 99.94 18.89 0.19 0.01095 0.00721 68 53 4 8 0 199.860 15.00 18.89 19.16 21.27 21.27 26.2 846.11 -2872 -5099 -3453 -5198 -896 -2488 -555 674 -1601 -2001 -2733 1438 -2269 -25 -898 -1472 -445 -321 -343 270 302 1516 2411 -69 274 -897 -1500 -1517 779 868 1324 1977 1179 -2347 -791 -81 -1065 900 147 -1165 -1402 -1012 -1224 -540 -415 -802 -382 -173 -213 1065 828 252 1225 449 570 1302 565 355 940 1016 2007 1224 1008 429 -537 527 85 1078 1520 187 -222 -393 -428 -57 -358 520 360 413 1323 -616 -617 -1409 -1966 -900 -996 -923 -488 -600 -333 -156 385 415 841 1904 1072 494 642 344 -772 -633 -336 -280 794 387 -1000 -632 -669 -728 162 -258 -111 -320 197 157 574 1218 677 685 -19 -648 -915 -242 -144 138 718 385 1201 1646 620 274 48 -73 49 250 -295 -427 109 -54 -519 -110 -141 -344 40 -223 -441 -299 -429 -64 -176 -41 56 -151 -198 -272 144 -267 -3 -138 -250 -79 -59 -66 53 61 301 488 -15 64 -218 -364 -348 166 186 303 491 319 -667 -210 -21 -306 295 57 -521 -676 -507 -629 -278 -213 -416 -195 -87 -106 533 439 143 726 279 363 845 373 234 608 652 1315 859 763 343 -431 396 61 759 1137 156 -198 -362 -392 -50 -300 399 256 287 957 -500 -548 -1363 -1999 -943 -1096 -1067 -584 -733 -406 -185 430 435 828 1842 1099 550 772 445 -1047 -848 -429 -335 909 457 -1262 -826 -905 -1015 233 -392 -175 -510 305 233 802 1632 913 954 -28 -990 -1419 -370 -216 200 1008 524 1577 2172 870 406 74 -114 77 407 -502 -751 195 -97 -942 -196 -245 -583 66 SS 20240805T065843.5Z 8983.290782 104 1 50.06 2 63.22 51.27 72.05 57.94 0.00 1 0.00 1 0 25 1.060e-02 6.757e-03 1.188e-03 3.572e-04 2.650904e-01 1.770138e-04 2.801997e-03 -6.000000e+00 5.969890e-03 226.09 -2.00 3.06 -2.00 317.52 0.00e+00 1.660479e-04 2.645090e-05 5.988282e-05 -6.000000e+00 2.599008e-04 276.66 -2.00 20.00 -2.00 316.88 0.00e+00 2.208 0.000 302.00 328.00 3 1.3654e+00 4.6784e-04 2.1483e-02 -6.0000e+00 1.4808e-02 1.3122e-02 5.2823e-04 1.1850e-02 -6.0000e+00 1.6133e-02 -4.5884e-03 3.2342e-04 5.8636e-03 -6.0000e+00 9.5884e-03 -2.1101e-03 1.6107e-04 1.6712e-03 -6.0000e+00 4.0578e-03 1.6224e-02 -3.9750e-04 1.0213e-05 1.8396e-05 -6.0000e+00 2.8327e-04 1.0817e-02 11 8 0 10 0 0 99.98 18.88 0.25 0.01082 0.00783 687 148 2 8 0 71.920 15.00 18.88 20.34 21.27 21.27 26.5 853.05 -2868 -2552 -3941 -4271 -2198 -1235 -199 16 -433 -2245 -843 333 -515 -53 38 -1571 -90 -222 351 314 -393 1097 1378 438 452 -174 -996 -285 894 2331 1580 2420 880 -2092 -360 296 -365 496 -138 -1383 -1426 -857 -1039 -944 -385 -984 -583 -352 -315 997 1036 796 999 627 672 1222 505 478 832 1247 1660 1312 1152 415 -784 377 209 905 1695 84 -99 -405 -319 -147 -240 526 468 1037 1107 -366 -646 -1375 -2080 -903 -1124 -898 -628 -536 -329 -273 470 402 1092 1872 1238 566 755 89 -781 -571 -452 -168 848 582 -1091 -641 -679 -627 -26 -92 -256 -322 -69 184 536 1190 779 690 143 -618 -667 -201 -143 26 779 328 1302 1605 544 386 65 1 57 329 -282 -399 47 -107 -566 -180 -182 -252 21 -289 -278 -439 -486 -219 -117 -20 2 -55 -302 -110 45 -72 -8 7 -317 -19 -48 78 72 -92 252 323 110 120 -48 -274 -73 212 538 392 648 259 -642 -102 82 -112 177 -60 -702 -787 -491 -560 -558 -226 -579 -334 -196 -173 545 599 496 603 398 439 812 344 323 548 814 1117 955 914 352 -665 291 149 631 1267 72 -93 -397 -310 -137 -207 403 325 747 773 -294 -585 -1379 -2062 -928 -1240 -1060 -780 -683 -417 -332 524 408 1090 1813 1287 605 897 118 -1021 -786 -579 -196 933 669 -1387 -856 -949 -850 -37 -140 -410 -521 -106 264 754 1567 1031 959 199 -923 -1017 -301 -208 38 1098 442 1647 2043 751 574 95 2 86 518 -476 -706 84 -185 -986 -327 -317 -422 34 SS 20240805T071829.8Z 8983.304512 114 1 0.99 2 59.89 47.45 68.44 54.91 0.00 1 0.00 1 0 25 1.084e-02 7.711e-03 4.745e-03 2.539e-03 2.400859e-01 1.272805e-03 2.563106e-03 -6.000000e+00 6.108300e-03 226.09 -2.00 3.06 -2.00 315.94 0.00e+00 2.776405e-05 1.311784e-04 3.845429e-05 -6.000000e+00 2.659103e-04 276.66 -2.00 20.00 -2.00 315.36 0.00e+00 1.985 0.000 302.00 328.00 3 1.9594e+00 3.2861e-03 1.9339e-02 -6.0000e+00 1.5151e-02 2.1187e-02 3.6796e-03 1.0673e-02 -6.0000e+00 1.6507e-02 -7.8515e-03 2.1181e-03 5.2742e-03 -6.0000e+00 9.8102e-03 1.1996e-04 9.7199e-04 1.4900e-03 -6.0000e+00 4.1523e-03 1.1132e-02 -3.2688e-04 7.0851e-05 1.8197e-05 -6.0000e+00 2.8979e-04 9.8279e-03 12 9 1 12 1 1 78.10 18.88 0.23 0.00983 0.00737 6 76 1 8 0 140.260 15.00 18.88 22.12 21.27 21.27 26.5 860.08 -1624 -1350 -3582 -3050 -3507 -824 1399 317 -1129 -1890 -249 1785 -125 282 -502 -1288 -167 45 -221 1379 -730 2279 1399 1476 305 1017 -1761 -118 960 3068 1307 2538 1067 -1787 286 656 437 765 319 -1818 -1170 -1314 -1023 -1643 -698 -955 -727 89 -106 436 909 1040 690 436 494 1230 398 499 1136 1384 1955 806 385 233 -1273 150 564 876 1376 -205 -29 -451 -5 -78 -650 402 486 744 1224 -559 -1113 -1347 -2071 -778 -1324 -996 -1037 -426 -353 -140 456 571 639 1566 1204 861 228 -202 -919 -475 -430 -373 998 819 -908 -617 -482 -730 24 -184 -79 -315 -164 -120 584 1664 656 1085 -96 -426 -355 -252 -144 -39 739 457 1457 1085 617 519 300 127 262 299 -518 -406 56 7 -1052 -103 -132 -118 -405 -364 -325 -885 -692 -711 -156 277 72 -288 -463 -64 462 -34 88 -165 -462 -61 17 -87 551 -302 905 572 638 131 449 -787 -52 389 1196 548 1137 487 -847 124 298 204 393 186 -1180 -818 -958 -761 -1235 -517 -707 -524 62 -72 297 648 793 529 350 407 1028 324 401 936 1133 1645 701 348 223 -1217 136 469 748 1195 -195 -29 -464 -5 -77 -622 357 410 597 1029 -513 -1096 -1394 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