File name: Pandora53s1_Potchefstroom-METSI_20241121_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20241122T073628.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v2d20230223.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20241121_L1_smca1c2d20230223p1-8.txt Full location name: Gerhard Minnebron Mooi River Ecosystem Trails for Scientific Investigations Short location name: Potchefstroom-METSI Country of location: South Africa Location latitude [deg]: -26.4907 Location longitude [deg]: 27.1322 Location altitude [m]: 1440 Local noon date: 20241121 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Modification of session 103 "redoing cal analysis" First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0454 305.1861 305.3267 305.4673 305.6079 305.7485 305.8891 306.0297 306.1702 306.3108 306.4513 306.5919 306.7324 306.8729 307.0134 307.1539 307.2943 307.4348 307.5752 307.7157 307.8561 307.9965 308.1369 308.2773 308.4177 308.5581 308.6984 308.8388 308.9791 309.1194 309.2597 309.4000 309.5403 309.6806 309.8209 309.9611 310.1014 310.2416 310.3818 310.5220 310.6622 310.8024 310.9426 311.0827 311.2229 311.3630 311.5031 311.6433 311.7834 311.9234 312.0635 312.2036 312.3437 312.4837 312.6237 312.7638 312.9038 313.0438 313.1837 313.3237 313.4637 313.6036 313.7436 313.8835 314.0234 314.1633 314.3032 314.4431 314.5830 314.7228 314.8627 315.0025 315.1424 315.2822 315.4220 315.5618 315.7015 315.8413 315.9811 316.1208 316.2605 316.4002 316.5400 316.6797 316.8193 316.9590 317.0987 317.2383 317.3780 317.5176 317.6572 317.7968 317.9364 318.0760 318.2155 318.3551 318.4946 318.6342 318.7737 318.9132 319.0527 319.1922 319.3317 319.4711 319.6106 319.7500 319.8894 320.0288 320.1683 320.3076 320.4470 320.5864 320.7257 320.8651 321.0044 321.1437 321.2831 321.4224 321.5616 321.7009 321.8402 321.9794 322.1187 322.2579 322.3971 322.5363 322.6755 322.8147 322.9538 323.0930 323.2321 323.3713 323.5104 323.6495 323.7886 323.9277 324.0668 324.2058 324.3449 324.4839 324.6229 324.7620 324.9010 --------------------------------------------------------------------------------------- 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: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Azimuth motor temperature [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20241121T090456.6Z 9091.378432 55 1 50.72 2 13.66 64.63 100.55 289.48 0.00 1 0.00 1 0 17 7.046e-03 5.552e-03 1.033e-03 7.919e-04 1.292576e-01 4.240486e-04 1.384677e-03 -6.000000e+00 4.212253e-03 228.30 -2.00 3.06 -2.00 314.27 0.00e+00 4.935435e-04 3.212461e-05 3.801856e-05 -6.000000e+00 1.858888e-04 282.27 -2.00 20.00 -2.00 313.76 0.00e+00 1.029 0.000 302.00 328.00 3 4.9466e+00 1.0822e-03 1.0457e-02 -6.0000e+00 1.0471e-02 8.6807e-03 1.1955e-03 5.8499e-03 -6.0000e+00 1.1336e-02 7.1701e-03 6.8576e-04 2.8489e-03 -6.0000e+00 6.7501e-03 -4.8916e-03 2.9382e-04 8.8096e-04 -6.0000e+00 2.8424e-03 1.4519e-03 7.1237e-04 2.4447e-05 1.2790e-05 -6.0000e+00 2.1403e-04 1.6502e-02 0.0000e+00 10 0 0 10 0 0 100.00 18.36 0.38 0.01650 0.02186 185 34 1 5 0 274.100 21.27 14.99 18.36 32.44 59.60 18.6 931.96 -105 -1124 -1961 -2219 -1610 -753 755 1664 1384 101 -296 158 519 971 594 -403 -120 19 646 643 393 723 539 413 477 -15 -352 -425 682 770 1604 2103 1318 -320 -955 -1053 -889 -107 25 -885 -1053 -1176 -1232 -886 -900 -746 -792 -763 -629 154 431 677 1044 843 805 518 568 506 692 660 951 1123 1026 554 402 -10 -446 -312 453 551 132 2 -106 249 209 183 0 -280 -83 -272 -683 -878 -1413 -1331 -1154 -747 -340 -217 -284 178 171 151 256 377 769 599 451 325 280 243 -218 -491 -160 -83 -504 -364 -536 -520 -226 47 173 38 -19 -33 -54 235 159 232 130 59 -51 35 -58 143 590 528 633 819 614 684 377 82 -255 127 -146 -47 57 -254 -194 -143 -228 -488 -411 -43 -491 -858 -904 -636 -280 286 682 569 43 -125 67 234 479 322 -217 -66 11 366 371 230 419 316 250 299 -9 -222 -253 401 434 907 1230 809 -186 -572 -621 -522 -71 18 -743 -899 -1046 -1119 -806 -814 -665 -685 -633 -535 128 366 564 904 758 741 484 534 474 640 611 903 1060 1032 581 414 -9 -416 -279 416 557 137 2 -117 264 208 176 0 -243 -72 -243 -675 -892 -1534 -1433 -1320 -911 -414 -273 -358 216 204 164 267 371 769 646 503 396 340 292 -264 -556 -183 -92 -601 -460 -673 -679 -306 63 240 52 -25 -42 -67 274 182 275 164 76 -68 47 -76 181 742 630 718 966 709 828 476 106 -317 162 -196 -63 79 -361 -279 -202 -314 -656 -570 SS 20241121T091046.8Z 9091.382486 58 1 51.72 2 12.49 61.43 101.73 288.91 0.00 1 0.00 1 0 17 7.256e-03 5.783e-03 1.500e-03 1.211e-03 1.318788e-01 6.524322e-04 1.420688e-03 -6.000000e+00 4.337255e-03 228.30 -2.00 3.06 -2.00 313.93 0.00e+00 5.741254e-04 4.648260e-05 4.956780e-05 -6.000000e+00 1.914093e-04 282.27 -2.00 20.00 -2.00 313.46 0.00e+00 1.024 0.000 302.00 328.00 3 5.9349e+00 1.6596e-03 1.0502e-02 -6.0000e+00 1.0781e-02 2.1218e-02 1.8312e-03 5.9903e-03 -6.0000e+00 1.1672e-02 4.4697e-03 1.0514e-03 2.9156e-03 -6.0000e+00 6.9504e-03 -4.0169e-03 4.4723e-04 9.3203e-04 -6.0000e+00 2.9267e-03 5.3728e-04 6.4082e-04 3.7231e-05 1.3559e-05 -6.0000e+00 2.2038e-04 1.6662e-02 0.0000e+00 10 0 0 10 0 0 99.91 18.37 0.46 0.01666 0.02148 21 4 1 5 0 2462.380 21.27 14.98 18.37 32.38 58.90 18.6 931.70 -85 -1190 -1939 -2415 -1484 -1081 1086 2054 850 190 -288 67 810 277 718 -914 -63 414 530 566 350 699 895 270 311 -104 -612 -113 619 1294 1478 2486 1138 85 -694 -585 -521 -263 291 -1139 -879 -787 -1383 -859 -1122 -823 -802 -887 -601 71 623 655 842 946 527 412 570 546 647 637 948 1129 737 846 331 36 -493 -200 551 608 -288 -347 -115 92 432 129 155 -1067 -169 -146 -575 -867 -1148 -1260 -1033 -553 -320 -214 -273 -10 186 263 353 291 719 530 378 563 230 235 -201 -456 -261 162 -592 -520 -501 -487 -246 -1 -6 -141 -37 -46 124 238 186 213 96 -15 17 -87 -66 353 742 654 748 922 654 709 416 276 -28 28 -199 -84 15 -626 -120 -152 -348 -421 -430 -39 -568 -926 -1104 -638 -439 446 911 403 91 -136 32 408 150 404 -542 -38 252 329 358 219 444 571 175 208 -70 -404 -73 378 772 891 1506 711 54 -431 -357 -333 -184 222 -964 -773 -706 -1273 -790 -1029 -743 -716 -776 -514 60 531 574 754 861 492 389 533 518 606 596 892 1102 755 883 341 36 -465 -184 511 598 -300 -372 -124 97 437 125 141 -937 -148 -134 -563 -893 -1240 -1382 -1184 -652 -392 -266 -341 -13 218 290 373 296 743 569 430 662 281 285 -239 -516 -293 182 -695 -627 -621 -619 -319 -2 -9 -192 -49 -58 151 278 213 252 117 -20 22 -112 -85 440 901 778 860 1041 752 842 507 344 -34 35 -259 -112 21 -871 -165 -211 -476 -560 -570 SS 20241121T095219.6Z 9091.411338 83 1 51.61 2 6.54 10.64 110.24 285.01 0.00 1 0.00 1 0 17 7.948e-03 6.217e-03 1.916e-03 1.528e-03 1.321172e-01 8.214239e-04 1.418950e-03 -6.000000e+00 4.751602e-03 228.30 -2.00 3.06 -2.00 314.01 0.00e+00 6.162098e-04 5.931755e-05 4.522726e-05 -6.000000e+00 2.096816e-04 282.27 -2.00 20.00 -2.00 313.53 0.00e+00 1.007 0.000 302.00 328.00 3 6.3541e+00 2.0909e-03 1.0388e-02 -6.0000e+00 1.1811e-02 3.3818e-02 2.3083e-03 6.0033e-03 -6.0000e+00 1.2787e-02 2.7104e-03 1.3242e-03 2.9158e-03 -6.0000e+00 7.6142e-03 -4.1921e-03 5.6404e-04 9.3694e-04 -6.0000e+00 3.2065e-03 3.5711e-04 7.1775e-04 4.6969e-05 1.3361e-05 -6.0000e+00 2.4142e-04 1.6117e-02 0.0000e+00 11 1 0 11 8 0 99.94 18.38 0.10 0.01612 0.02151 19 4 1 5 0 2715.610 21.27 14.98 18.38 32.26 58.40 18.6 931.42 -381 -1662 -2427 -1684 -1705 -759 1150 2386 1017 74 -324 -218 1189 402 369 -1353 -231 922 711 1430 519 535 791 371 379 442 -459 -121 1050 1438 1685 2150 1283 -24 -1224 -950 -781 -443 -168 -1425 -943 -955 -1207 -943 -973 -814 -729 -960 -550 -74 273 587 1370 958 486 497 433 641 489 597 809 1166 792 1034 584 33 -671 -181 109 681 104 92 -109 308 585 -118 205 -1948 -421 -52 -696 -738 -1310 -1137 -1038 -705 -131 -510 -184 199 439 278 350 183 273 562 563 674 325 504 -306 -780 -344 -119 -511 -497 -549 -321 -215 33 183 2 -45 -114 -171 39 321 242 282 -39 12 161 -247 145 911 654 654 629 703 533 491 288 -193 -47 -335 163 -38 -375 -65 -141 -205 -525 -514 -173 -787 -1151 -754 -703 -302 464 1010 461 35 -151 -102 572 209 205 -795 -137 551 434 884 320 335 498 237 249 290 -305 -77 628 840 994 1283 786 -15 -750 -571 -491 -304 -129 -1193 -835 -864 -1096 -858 -896 -738 -653 -827 -463 -62 230 516 1225 874 456 462 407 598 459 559 764 1140 813 1080 601 33 -634 -166 101 670 108 98 -117 326 590 -115 185 -1717 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