File name: Pandora159s1_Wakkerstroom_20231016_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20231018T003311.8Z 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_20231016_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: 20231016 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 20231016T101054.4Z 8689.424241 80 1 49.10 2 19.47 340.52 15.19 48.44 0.00 1 0.00 1 0 17 1.090e-02 7.809e-03 5.408e-03 3.044e-03 1.647186e-01 1.534137e-03 1.762735e-03 -6.000000e+00 6.190939e-03 228.07 -2.00 3.06 -2.00 315.83 0.00e+00 3.214927e-04 1.529132e-04 4.305606e-05 -6.000000e+00 2.695343e-04 278.52 -2.00 20.00 -2.00 315.22 0.00e+00 1.060 0.000 302.00 328.00 3 6.1250e+00 3.9771e-03 1.1427e-02 -6.0000e+00 1.5417e-02 5.5891e-02 4.4405e-03 7.3956e-03 -6.0000e+00 1.6764e-02 -1.3776e-02 2.5445e-03 3.6451e-03 -6.0000e+00 9.9582e-03 3.2937e-04 1.1496e-03 1.0550e-03 -6.0000e+00 4.2072e-03 4.1107e-04 -3.3932e-04 8.6553e-05 1.2811e-05 -6.0000e+00 2.9150e-04 5.4887e-03 11 9 0 11 8 0 99.88 19.32 0.49 0.00549 0.00294 14 3 1 8 0 3506.540 15.13 19.32 15.72 21.69 21.58 25.6 842.61 -1406 -2939 -1616 -3913 -1404 1781 -3298 2228 745 -934 -1051 1340 -2128 304 -195 -714 1754 -724 792 991 1856 731 1435 -949 1106 92 -964 697 444 2698 823 3417 259 -559 -974 997 136 1574 -804 -939 -1573 207 -1004 -709 -148 -1138 -478 -505 -226 -2 537 -82 1107 432 851 1392 161 32 910 1378 1055 1208 470 -97 -697 526 -280 633 2006 225 -92 -137 -92 -129 -380 -377 -293 -193 433 -1188 -940 -1239 -2423 -717 -1144 -498 -61 -182 15 338 680 -676 372 1488 770 351 409 53 -545 -243 -6 -19 154 -163 -1585 -1021 3046 -928 56 -195 -88 -159 244 415 -278 918 -136 638 396 -189 -493 177 -696 -421 1011 145 1369 1139 299 713 180 -652 27 761 -107 -515 275 -169 -458 91 -24 -386 -490 -366 -826 -446 -1014 -316 369 -752 539 201 -262 -286 359 -639 99 -71 -277 678 -291 322 413 774 305 600 -423 505 43 -451 299 178 1022 327 1394 115 -250 -408 401 60 791 -486 -644 -1162 155 -773 -548 -112 -866 -352 -358 -155 -1 375 -61 847 344 687 1133 134 26 734 1107 873 1062 443 -96 -678 465 -229 495 1639 209 -92 -142 -96 -130 -359 -323 -228 -141 326 -1001 -870 -1243 -2571 -780 -1324 -609 -77 -239 20 426 800 -738 368 1408 764 378 478 67 -725 -317 -8 -22 170 -186 -1980 -1334 3979 -1298 80 -292 -137 -246 361 573 -356 1104 -165 797 529 -269 -722 255 -990 -576 1306 181 1608 1334 372 926 242 -896 38 1076 -161 -804 437 -274 -748 147 -37 -589 -736 SS 20231016T101648.3Z 8689.428337 83 1 15.86 2 19.95 336.44 14.24 44.46 0.00 1 0.00 1 0 17 9.450e-03 7.438e-03 2.528e-03 1.744e-03 1.526115e-01 8.866550e-04 1.648929e-03 -6.000000e+00 5.367194e-03 228.07 -2.00 3.06 -2.00 314.89 0.00e+00 3.809242e-04 7.368399e-05 4.115162e-05 -6.000000e+00 2.336753e-04 278.52 -2.00 20.00 -2.00 314.36 0.00e+00 1.064 0.000 302.00 328.00 3 4.7293e+00 2.2764e-03 1.1089e-02 -6.0000e+00 1.3366e-02 2.4889e-02 2.5312e-03 6.8790e-03 -6.0000e+00 1.4533e-02 -3.9275e-03 1.4463e-03 3.3871e-03 -6.0000e+00 8.6333e-03 -1.0771e-03 6.3474e-04 9.9527e-04 -6.0000e+00 3.6473e-03 1.7131e-03 -3.6026e-04 4.8695e-05 1.2740e-05 -6.0000e+00 2.5273e-04 5.8882e-03 12 9 1 12 1 1 99.75 19.27 0.31 0.00589 0.00318 12 9 1 8 0 1205.240 15.07 19.27 16.05 21.58 21.48 25.7 845.00 -889 -1542 -2061 -3362 -537 -37 1537 2377 814 -1447 22 1259 -220 929 -329 -1330 158 325 9 415 -376 1430 1149 373 522 271 -791 -219 1418 1825 1953 2627 1225 -1650 215 1013 -763 42 -5 -1457 -1555 -723 -1287 -1096 -709 -1148 -748 -525 -284 683 797 946 1161 747 708 1171 431 368 1143 1100 1546 1104 900 199 -890 -4 -213 778 1527 -153 -359 -122 -241 -221 -369 135 140 476 986 -276 -1149 -1667 -1836 -951 -945 -833 -620 -538 79 -271 552 51 698 1643 955 321 530 128 -826 -423 -25 -217 825 604 -1121 -722 -467 -719 -150 95 -230 -106 -100 100 89 1130 704 663 553 -443 -601 -22 -370 274 1111 548 1114 1620 737 447 95 197 122 425 -425 -418 77 -229 -685 -214 -17 -478 -469 -311 -572 -763 -1175 -164 -11 463 784 294 -544 8 451 -86 393 -153 -653 78 162 5 216 -199 737 599 203 292 155 -450 -117 704 879 959 1346 661 -912 111 508 -415 26 -4 -1127 -1275 -601 -1091 -934 -597 -967 -614 -419 -219 519 625 772 972 648 623 1034 386 328 1003 963 1383 1039 887 204 -902 -3 -188 664 1354 -150 -372 -129 -256 -229 -366 123 118 384 813 -248 -1117 -1732 -1977 -1050 -1090 -1006 -774 -686 101 -337 648 56 716 1621 977 350 615 158 -1058 -533 -30 -249 913 689 -1370 -911 -606 -954 -204 134 -331 -153 -139 132 110 1338 837 809 711 -598 -830 -31 -500 359 1402 669 1308 1891 897 565 123 258 160 570 -596 -605 113 -342 -1029 -316 -24 -682 -662 SS 20231016T102224.2Z 8689.432225 86 1 49.63 2 20.48 332.74 13.40 40.20 0.00 1 0.00 1 0 17 9.167e-03 6.796e-03 2.550e-03 1.491e-03 1.536203e-01 7.506883e-04 1.651856e-03 -6.000000e+00 5.206319e-03 228.07 -2.00 3.06 -2.00 315.68 0.00e+00 4.298761e-04 7.260435e-05 3.932183e-05 -6.000000e+00 2.266739e-04 278.52 -2.00 20.00 -2.00 315.07 0.00e+00 1.067 0.000 302.00 328.00 3 4.9856e+00 1.9428e-03 1.1143e-02 -6.0000e+00 1.2965e-02 2.4251e-02 2.1676e-03 6.9320e-03 -6.0000e+00 1.4098e-02 -2.4947e-03 1.2408e-03 3.4095e-03 -6.0000e+00 8.3747e-03 -1.5423e-03 5.5783e-04 1.0106e-03 -6.0000e+00 3.5378e-03 1.3178e-03 -3.0640e-04 4.2200e-05 1.2243e-05 -6.0000e+00 2.4516e-04 6.1514e-03 11 9 0 11 8 0 99.96 19.23 0.36 0.00615 0.00385 61 13 1 8 0 813.530 15.03 19.23 16.65 21.58 21.48 25.9 848.23 -1046 -1853 -2313 -2967 414 -286 1270 1257 706 -1240 319 1380 -522 488 126 -1307 -396 -226 414 1206 -292 761 1810 981 545 11 -707 -560 717 2286 2184 2671 1263 -1952 -37 1102 -169 499 184 -1320 -1143 -894 -1416 -583 -337 -931 -913 -682 -321 753 357 529 490 556 366 1067 233 101 1011 674 1523 1236 980 105 -749 22 38 817 1564 27 -234 -200 31 17 -465 456 178 1010 957 -290 -942 -1169 -1993 -744 -825 -928 -446 -550 -197 -372 482 191 1040 1781 1279 750 650 202 -703 -446 -352 -44 701 730 -1271 -553 -695 -593 -112 -55 -262 -129 40 -64 489 774 853 487 340 -480 -484 9 -114 18 790 626 1117 1668 334 303 -47 -67 18 449 -296 -245 84 -48 -433 -347 -61 -506 -61 -288 -546 -680 -811 97 -64 295 327 201 -369 91 390 -163 168 48 -533 -162 -94 175 520 -129 330 787 446 259 6 -342 -252 297 906 892 1141 573 -915 -16 460 -77 261 113 -925 -855 -687 -1115 -455 -262 -721 -688 -496 -225 518 255 398 383 448 301 884 196 85 829 552 1278 1102 931 104 -734 19 31 647 1301 25 -236 -208 32 17 -445 395 140 747 728 -245 -878 -1178 -2117 -810 -949 -1137 -569 -719 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