File name: Pandora159s1_Wakkerstroom_20240914_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240914T220353.5Z 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_20240914_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: 20240914 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 20240914T045938.9Z 9023.208089 158 1 45.76 2 77.22 79.50 123.77 204.66 0.00 1 0.00 1 0 25 3.080e-01 1.836e-02 3.005e-01 1.219e-02 5.258757e-01 6.409140e-03 5.240899e-03 -6.000000e+00 1.756181e-01 227.50 -2.00 3.06 -2.00 320.79 0.00e+00 -5.347263e-04 2.515561e-03 9.586352e-04 -6.000000e+00 8.105728e-03 277.41 -2.00 20.00 -2.00 320.23 0.00e+00 4.404 0.000 302.00 328.00 3 4.7556e+00 1.9916e-02 4.3354e-02 -6.0000e+00 4.3783e-01 1.0234e-02 2.5407e-02 2.5224e-02 -6.0000e+00 4.7702e-01 -9.0132e-02 2.4263e-02 1.2436e-02 -6.0000e+00 2.8214e-01 4.3272e-02 1.2103e-02 3.7172e-03 -6.0000e+00 1.1924e-01 7.0513e-05 -3.6285e-04 3.6109e-04 4.3041e-05 -6.0000e+00 8.5397e-03 1.0545e-02 12 9 9 12 9 1 99.95 19.60 0.52 0.01055 0.00782 12 3 2 8 0 3519.740 14.99 19.60 22.99 21.79 21.79 26.7 864.45 -121595 74833 -37964 900000 -188184 -61870 26386 900000 -63912 -25043 900000 105815 -25183 -9203 900000 -6579 -17284 25836 101157 -8492 8211 -16689 42762 107830 971 5260 -12183 74722 -18676 -4308 6942 105941 8498 10959 -3253 30984 -4981 6210 -4446 -4944 -7807 -19598 22809 -5285 -2411 90 26897 -8943 14833 7223 256 7000 -3557 7742 4364 4683 -8973 11477 -4564 7999 -5203 5371 4050 1890 384 -1379 2340 6583 10010 -2181 4058 3034 3200 -3884 -1586 -1276 -455 3604 4376 -2198 -1771 -995 -2878 1303 -5623 818 -470 891 -573 4713 -481 916 1042 242 2057 -712 3965 -2391 -1196 -2667 2168 -2825 1430 86 -1810 -2151 -4102 251 -2070 1194 -759 852 -50 102 -599 1865 999 902 691 -578 1552 -1487 -430 1418 626 648 2310 919 1558 -1109 2162 -609 453 202 -1072 -1101 -186 1380 -708 -546 -449 649 -334 -2581 889 -451 900000 -7781 -757 313 900000 -1148 -331 900000 1257 -461 -177 900000 -170 -540 577 1201 -294 248 -643 983 1457 40 217 -595 1518 -903 -191 315 2149 492 645 -210 1439 -363 487 -472 -621 -1119 -3350 2694 -831 -370 14 3176 -1516 2052 1135 47 1344 -818 1719 1055 1176 -2643 2761 -1247 1918 -1469 1498 1280 672 142 -496 788 2172 3540 -993 1908 1492 1557 -1920 -704 -511 -168 1283 1712 -1066 -984 -618 -1967 907 -4456 652 -399 768 -498 3740 -375 655 707 170 1563 -633 3825 -2752 -1460 -3267 2374 -2942 1342 84 -1946 -2451 -4993 311 -2833 1741 -1222 1403 -82 159 -881 2568 1397 1325 1080 -952 2508 -2409 -667 2097 898 890 3009 1259 2350 -1893 3852 -1159 886 417 -2374 -2559 -437 3250 -1698 -1265 -985 1344 -681 SS 20240914T050524.9Z 9023.212093 160 1 49.33 2 75.96 78.78 124.27 203.29 0.00 1 0.00 1 0 33 1.603e-01 6.586e-03 1.259e-01 2.740e-03 5.019511e-01 1.419527e-03 5.099345e-03 -6.000000e+00 9.078879e-02 227.50 -2.00 3.06 -2.00 320.49 0.00e+00 4.186658e-03 5.223940e-04 1.530919e-03 -6.000000e+00 3.943834e-03 277.41 -2.00 20.00 -2.00 319.91 0.00e+00 4.034 0.000 302.00 328.00 3 2.9146e+00 4.2916e-03 4.1235e-02 -6.0000e+00 2.2587e-01 -7.8724e-03 5.3381e-03 2.7173e-02 -6.0000e+00 2.4581e-01 -1.4193e-02 5.0260e-03 1.1738e-02 -6.0000e+00 1.4599e-01 -2.8958e-03 2.5526e-03 5.9077e-03 -6.0000e+00 6.1640e-02 5.9381e-04 -1.0923e-03 8.0221e-05 4.5475e-05 -6.0000e+00 4.2868e-03 1.0656e-02 11 8 0 10 0 0 99.04 19.60 0.27 0.01066 0.00245 96 21 4 8 0 513.780 15.00 19.60 23.57 21.79 21.88 26.8 867.29 1968 -23397 125410 -35850 30530 -73251 -8818 -45574 -28067 -41772 68705 996 -10034 13283 -9938 6499 -6137 531 -15918 11704 -12307 3511 -12720 -1694 -11586 985 7909 -4590 8901 -6104 -301 -3289 271 -4532 -2303 -2441 -235 867 250 -3448 522 1443 -2662 91 -3413 322 -2293 1148 -361 348 118 1534 690 1034 198 -674 775 -651 1334 -944 1259 -916 2980 511 408 765 2410 1191 1732 663 432 627 -784 189 -644 1433 -65 1572 817 853 333 -1368 -1515 -1368 -1656 -1261 67 -831 442 -350 1428 638 1633 2065 1282 811 701 171 -783 21 -232 128 254 560 -1425 -865 -148 -710 -341 -143 -604 -478 32 205 670 678 807 403 -263 -896 -640 -94 -462 -143 567 625 905 1791 180 368 -28 297 215 459 -320 -336 186 -179 -624 -211 319 -219 217 14 -240 335 -423 170 -1125 -77 -649 -375 -679 382 12 -170 225 -261 169 -201 18 -622 396 -501 132 -539 -69 -557 44 357 -210 381 -322 -16 -211 19 -350 -166 -175 -18 79 28 -473 76 223 -450 15 -605 56 -416 205 -67 68 25 357 176 281 57 -202 234 -198 388 -279 380 -311 1095 212 175 311 928 471 750 333 238 359 -449 102 -321 627 -27 634 367 448 203 -953 -1144 -1088 -1412 -1145 63 -814 426 -326 1216 506 1209 1542 1064 773 763 196 -975 25 -265 141 261 587 -1648 -1052 -188 -892 -461 -213 -980 -804 53 320 968 933 1114 586 -411 -1478 -1054 -149 -711 -211 798 907 1256 2540 268 604 -49 550 414 931 -697 -770 433 -428 -1494 -487 693 -454 435 SS 20240914T051123.4Z 9023.216244 163 1 49.49 2 74.66 78.03 124.77 201.85 0.00 1 0.00 1 0 25 6.354e-02 6.307e-03 2.852e-02 1.462e-03 4.602988e-01 7.462158e-04 4.704520e-03 -6.000000e+00 3.599139e-02 227.50 -2.00 3.06 -2.00 320.09 0.00e+00 3.348036e-03 2.399084e-04 8.508453e-04 -6.000000e+00 1.563453e-03 277.41 -2.00 20.00 -2.00 319.50 0.00e+00 3.712 0.000 302.00 328.00 3 2.2792e+00 2.1713e-03 3.7229e-02 -6.0000e+00 8.9541e-02 -1.4022e-02 2.6279e-03 2.2915e-02 -6.0000e+00 9.7445e-02 -1.6370e-02 2.3201e-03 1.0616e-02 -6.0000e+00 5.7875e-02 4.0816e-04 1.1985e-03 4.7094e-03 -6.0000e+00 2.4436e-02 1.5232e-03 -9.2572e-04 4.2310e-05 3.9307e-05 -6.0000e+00 1.6994e-03 1.0648e-02 10 0 0 10 0 0 99.42 19.60 0.29 0.01065 0.00369 168 36 4 8 0 294.550 15.00 19.60 24.07 21.88 21.88 26.9 870.57 -29758 -5458 -24529 -4345 -37684 -8713 -13616 -7319 -23082 -14757 -15714 -21724 833 -12285 3297 -15566 5364 -4679 -289 -1358 -2385 -3276 -1577 -4968 -6616 -3246 -7571 -3663 -631 2819 -642 3302 130 888 -2762 1486 -2614 -261 -567 -3162 -715 -2534 -615 -2253 314 -443 242 -180 391 1825 1256 1603 996 1216 -360 1816 -221 796 -265 1598 766 1501 1488 695 265 817 390 900 1686 -140 188 -224 90 4 163 457 472 862 870 -63 -714 -985 -2221 -839 -1365 -611 -802 -562 -108 -11 1073 583 1597 1656 1356 532 807 133 -452 -469 -278 -205 931 370 -1409 -947 -687 -608 -227 75 -369 -169 -78 233 454 1124 687 372 -194 -807 -665 -341 -65 -289 584 219 1622 1558 534 213 174 4 22 454 -395 -477 -16 286 -564 -50 -63 -159 153 -475 -78 -404 -61 -677 -114 -202 -116 -477 -297 -327 -530 20 -374 104 -686 210 -219 -14 -69 -125 -173 -85 -296 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