File name: Pandora159s1_Wakkerstroom_20231014_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20231015T194908.0Z 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 v1.8.49 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20231014_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: 20231014 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 20231014T040704.3Z 8687.171577 47 1 25.78 2 81.58 94.73 79.00 89.06 0.00 1 0.00 1 0 25 5.985e-01 1.018e-02 3.312e-01 5.528e-03 7.982090e-01 3.091420e-03 7.643042e-03 -6.000000e+00 3.442300e-01 228.03 -2.00 3.06 -2.00 321.65 0.00e+00 1.991716e-03 1.636532e-03 2.757966e-03 -6.000000e+00 1.608531e-02 278.44 -2.00 20.00 -2.00 321.17 0.00e+00 6.437 0.002 302.00 328.00 3 1.5225e+00 1.1029e-02 6.6503e-02 -6.0000e+00 8.5756e-01 1.5750e-01 1.6923e-02 4.5087e-02 -6.0000e+00 9.3518e-01 -1.4851e-01 1.9096e-02 2.1713e-02 -6.0000e+00 5.5611e-01 4.7947e-02 8.7880e-03 7.1574e-03 -6.0000e+00 2.3645e-01 2.6019e-04 -9.5145e-04 1.5120e-04 8.1819e-05 -6.0000e+00 1.6429e-02 6.6197e-03 12 9 9 12 9 1 77.07 19.45 0.38 0.00662 -0.00053 42 18 4 8 0 595.230 14.99 19.45 14.08 21.69 21.58 25.4 834.58 900000 -192509 900000 -216719 900000 -246478 -149324 -120360 -211470 -179451 -88140 55031 -173303 900000 -147046 900000 -116624 900000 -70221 53071 -61059 -56394 173659 -31008 56412 -98005 900000 -43940 18467 -64419 237176 -16083 27592 12791 16789 14602 -12619 18784 -16878 18371 -11101 9463 -14194 29760 -16540 29877 -14866 2565 3530 -6065 6425 3932 11837 -4936 8603 -875 6014 -3295 6553 1200 7101 7155 515 2719 3088 9517 1329 5368 1890 4906 -1524 3805 -2617 2117 -24 1412 1364 -409 2091 250 2077 -1499 -1261 -3458 1137 -2656 -227 -1273 785 -249 1770 2087 860 2636 -654 707 935 810 -1453 19 -739 -162 1475 341 -1101 -1229 -3112 -1180 361 -962 -64 -834 -36 6 949 1275 1351 226 -190 -425 -872 400 -413 990 40 861 696 1738 351 545 345 -300 321 -57 -159 -1008 423 -264 -55 -87 207 -225 166 900000 -1037 900000 -1346 900000 -1940 -804 -648 -1752 -1189 -475 296 -1866 900000 -2132 900000 -1787 900000 -843 286 -733 -654 935 -334 304 -2435 900000 -637 145 -1307 1277 -313 411 238 292 260 -329 436 -699 647 -598 451 -905 1257 -1130 1324 -1071 165 241 -502 535 355 1102 -598 976 -115 763 -456 794 150 866 974 87 514 622 1790 273 1119 461 1347 -492 1210 -870 626 -7 339 311 -99 570 84 813 -702 -649 -1936 648 -1671 -146 -848 508 -156 1014 1123 459 1462 -430 541 835 780 -1565 20 -736 -153 1234 289 -1017 -1201 -3271 -1312 410 -1266 -94 -1317 -57 9 1379 1779 1902 338 -300 -693 -1394 599 -597 1367 54 1107 931 2273 536 956 671 -632 668 -126 -380 -2556 1076 -685 -141 -213 470 -508 360 SS 20231014T042213.5Z 8687.182101 52 1 51.24 2 78.22 93.03 75.69 87.39 0.00 1 0.00 1 0 33 1.969e-01 5.881e-03 6.303e-02 1.480e-03 6.082449e-01 7.742306e-04 6.011098e-03 -6.000000e+00 1.117965e-01 228.03 -2.00 3.06 -2.00 320.89 0.00e+00 2.929129e-03 3.268195e-04 1.280784e-03 -6.000000e+00 4.866383e-03 278.44 -2.00 20.00 -2.00 320.35 0.00e+00 4.749 0.001 302.00 328.00 3 1.0331e+00 2.4451e-03 4.8401e-02 -6.0000e+00 2.7839e-01 7.3663e-02 3.2517e-03 3.0686e-02 -6.0000e+00 3.0272e-01 -2.7875e-02 3.3143e-03 1.4500e-02 -6.0000e+00 1.7982e-01 -3.3802e-03 1.6292e-03 5.7736e-03 -6.0000e+00 7.5966e-02 1.8921e-03 -9.8150e-04 4.1265e-05 5.2234e-05 -6.0000e+00 5.2651e-03 6.1541e-03 10 0 0 10 0 0 99.74 19.44 0.22 0.00615 -0.00122 396 85 2 8 0 124.360 14.99 19.44 15.62 21.69 21.58 25.8 843.91 -58127 -86256 -68358 -80193 -58012 -65789 -72932 -52950 -49712 -52158 -58870 -48310 -35253 -26928 -15001 -19238 -17203 -3499 -4085 -2687 -8164 -13112 -6602 -14812 -5040 -10993 -12118 -8000 -4692 -8073 -3442 -1366 1001 -802 -3130 -237 -2366 -19 -1234 -1811 -2765 -864 -1583 -2799 624 -115 -412 1349 957 2500 3086 2199 2158 1096 802 3 -590 -276 -677 454 2090 1431 1857 1433 291 1342 1562 1118 1527 510 374 -71 -313 -476 -164 525 627 411 1410 -131 -402 -1076 -1811 -728 -1149 -737 -417 -403 -289 129 939 809 1156 1626 1223 591 635 216 -481 -257 -255 35 1072 401 -1409 -964 -703 -827 -107 -127 -552 -305 -110 141 536 1205 997 643 -80 -780 -702 -82 -121 -114 516 178 1036 1632 200 45 4 -3 20 240 -351 -390 103 -16 -562 -72 45 38 455 -319 -734 -523 -671 -360 -437 -568 -390 -402 -467 -595 -502 -407 -336 -209 -333 -330 -65 -83 -57 -187 -318 -158 -420 -141 -345 -390 -240 -135 -261 -126 -59 48 -42 -161 -12 -133 -1 -102 -179 -310 -102 -199 -365 80 -15 -56 185 138 378 515 414 409 227 176 1 -141 -65 -156 111 523 366 537 465 100 441 500 369 558 217 175 -35 -151 -217 -68 193 235 156 542 -60 -217 -663 -1225 -515 -871 -593 -352 -349 -248 106 711 570 775 1113 939 526 651 253 -613 -325 -300 36 1025 391 -1509 -1085 -830 -1041 -146 -193 -855 -493 -177 235 832 1773 1476 1000 -133 -1361 -1214 -136 -192 -176 756 251 1390 2261 316 81 6 -6 39 499 -783 -916 245 -39 -1368 -168 98 77 902 SS 20231014T042759.3Z 8687.186103 55 1 30.83 2 76.94 92.38 74.43 86.75 0.00 1 0.00 1 0 25 1.101e-01 6.031e-03 4.877e-02 1.477e-03 5.597884e-01 7.587555e-04 5.593953e-03 -6.000000e+00 6.252294e-02 228.03 -2.00 3.06 -2.00 320.43 0.00e+00 2.218086e-03 2.797275e-04 8.684874e-04 -6.000000e+00 2.721502e-03 278.44 -2.00 20.00 -2.00 319.86 0.00e+00 4.316 0.000 302.00 328.00 3 1.3077e+00 2.2768e-03 4.3741e-02 -6.0000e+00 1.5569e-01 6.9968e-02 2.8729e-03 2.6883e-02 -6.0000e+00 1.6930e-01 -2.4402e-02 2.7514e-03 1.2977e-02 -6.0000e+00 1.0057e-01 -3.3108e-03 1.3929e-03 4.6960e-03 -6.0000e+00 4.2487e-02 2.1234e-03 -8.7828e-04 4.1124e-05 4.1647e-05 -6.0000e+00 2.9443e-03 5.6846e-03 12 1 1 12 9 1 99.98 19.43 0.23 0.00568 -0.00092 203 73 2 8 0 145.930 14.99 19.43 16.10 21.69 21.58 25.6 844.21 -23746 -55995 -12229 -51927 -27544 -52319 -22008 -46040 1219 -37445 -24151 -22175 -16762 -5489 -20946 -2386 -12311 -321 -8076 1041 -9680 924 -3606 2843 -2268 -4132 -7685 -5281 -3429 -425 -136 -2131 1251 -5598 9 1004 -280 427 -1860 -2185 -3425 -2165 -3073 -697 -2094 -885 379 938 -263 2161 1216 1588 2373 884 800 340 309 -887 342 90 1194 1517 2152 1258 610 1179 701 1119 1890 528 95 -120 -440 268 -582 861 446 1050 1271 -294 -144 -1175 -1823 -1231 -938 -969 -374 -608 76 14 1095 717 1336 1858 991 537 540 406 -690 -463 -456 155 938 799 -1380 -923 -800 -627 29 -312 -346 -485 -121 139 522 1145 951 566 -26 -763 -677 -122 -162 -138 477 216 912 1629 132 9 12 40 72 377 -329 -437 11 -32 -392 -58 26 -122 302 -171 -587 -97 -537 -226 -543 -184 -564 11 -466 -303 -279 -248 -92 -507 -57 -360 -9 -268 33 -354 30 -130 105 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