File name: Pandora53s1_Potchefstroom-METSI_20231213_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20240824T155303.9Z 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 v1.8.59 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v2d20230223.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20231213_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: 20231213 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 20231213T042052.6Z 8747.181164 103 1 50.76 2 76.66 109.44 77.94 114.69 0.00 1 0.00 1 0 25 2.396e-01 1.025e-02 1.180e-01 3.532e-03 5.286412e-01 1.865641e-03 5.348827e-03 -6.000000e+00 1.431147e-01 227.96 -2.00 3.06 -2.00 319.64 0.00e+00 3.299449e-04 5.618755e-04 3.957175e-04 -6.000000e+00 6.345343e-03 283.17 -2.00 20.00 -2.00 318.97 0.00e+00 4.230 0.000 302.00 328.00 3 4.5459e+00 5.3430e-03 4.2990e-02 -6.0000e+00 3.5535e-01 5.9013e-02 6.3558e-03 2.4247e-02 -6.0000e+00 3.8472e-01 -4.6105e-02 5.1861e-03 1.1862e-02 -6.0000e+00 2.2927e-01 9.8037e-03 2.6961e-03 3.5707e-03 -6.0000e+00 9.6734e-02 8.3539e-05 3.5906e-04 1.0552e-04 4.2566e-05 -6.0000e+00 7.2779e-03 1.4331e-02 0.0000e+00 12 9 8 11 32 0 21.91 17.56 0.15 0.01433 0.01703 15 3 1 5 0 3383.410 20.67 15.00 17.56 23.29 48.90 15.8 889.94 19162 -79226 -41004 -134674 -11487 -20816 155651 43552 -31392 7333 66688 -14239 113796 18433 28847 -52226 14652 13660 4031 13693 642 -2535 5165 -9104 -3330 7960 -1391 12186 26679 5019 2341 16603 2358 -7401 2780 -7438 -671 -7126 2431 -3444 -3411 825 -1366 5336 -7822 3334 -672 505 -323 3329 2842 419 2771 3389 1693 572 2196 3105 2078 1494 -984 2154 -281 2235 1625 1391 2447 -337 1733 1034 -1882 -1920 -1406 -269 655 -214 138 -1593 -1223 650 -1146 -957 -863 -1391 -1729 -709 -489 -174 43 -606 387 1168 1060 10 2309 147 108 1410 312 728 -906 -251 -37 -250 -1225 -1196 -1010 -603 -631 -45 -89 -342 338 464 -144 65 184 -142 128 -114 -99 -223 -138 201 728 830 712 1232 670 808 744 379 42 -189 -663 -71 -185 -468 273 -483 -62 -185 -126 178 -2062 -791 -6118 -156 -308 536 427 -692 123 675 -341 992 468 798 -3479 587 602 204 662 36 -151 299 -657 -245 551 -107 797 1524 363 196 1386 248 -885 304 -906 -82 -1089 399 -709 -770 192 -339 1267 -2091 826 -175 132 -88 919 838 139 958 1255 674 234 908 1274 845 605 -421 966 -140 1165 885 743 1289 -182 989 656 -1296 -1387 -1009 -187 424 -130 77 -894 -738 423 -858 -776 -749 -1270 -1689 -717 -509 -186 46 -630 381 1081 949 9 2176 154 124 1743 413 967 -1161 -303 -43 -284 -1465 -1492 -1303 -810 -899 -67 -141 -559 549 734 -220 97 272 -214 201 -185 -161 -357 -217 308 1078 1198 1011 1742 1017 1291 1252 668 77 -353 -1300 -142 -376 -972 565 -991 -123 -356 -235 SS 20231213T042707.2Z 8747.185500 106 1 49.54 2 75.34 108.85 76.72 114.16 0.00 1 0.00 1 0 25 2.003e-01 4.017e-02 8.275e-02 2.899e-03 5.011496e-01 1.530158e-03 5.219899e-03 -6.000000e+00 1.196109e-01 227.96 -2.00 3.06 -2.00 319.26 0.00e+00 -9.688698e-03 4.093046e-04 8.472664e-04 -6.000000e+00 5.303336e-03 283.17 -2.00 20.00 -2.00 318.57 0.00e+00 3.873 0.000 302.00 328.00 3 4.5345e+00 4.2930e-03 3.9799e-02 -6.0000e+00 2.9699e-01 8.5561e-03 5.0316e-03 2.3419e-02 -6.0000e+00 3.2154e-01 6.0570e-02 3.9166e-03 1.4758e-02 -6.0000e+00 1.9162e-01 -5.2418e-02 2.0517e-03 1.0368e-02 -6.0000e+00 8.0846e-02 1.1951e-04 -1.1142e-03 8.7728e-05 1.0302e-04 -6.0000e+00 6.0828e-03 1.4451e-02 0.0000e+00 12 9 8 11 8 0 11.01 17.60 0.22 0.01445 0.00608 18 3 1 5 0 2751.580 20.67 15.01 17.60 24.25 51.40 15.8 896.38 -71711 -65914 -56691 -8060 -37443 -17615 151741 37166 -7191 -13106 65183 -9226 75425 -1718 2100 -43758 -8658 -8013 -6624 -2048 -6553 -4760 3967 -7854 962 6035 5445 15523 11605 -377 87 404 -9572 -10021 -7622 -6609 -4066 -2978 474 759 2330 4775 3536 5263 -2849 2089 -1309 -1418 -691 -1186 1286 -633 597 3603 1824 5241 6922 9575 7216 6365 2808 3858 2853 1592 1808 2762 2945 2012 1683 2327 1419 1618 3134 -42557 5209 3870 3813 -3652 976 586 22 -309 207 312 366 1337 1451 1845 1821 2720 2921 3283 2931 2410 2837 604 351 439 -76 817 413 511 338 407 -660 -748 -1008 -1094 -984 -310 -385 -155 325 1478 1161 843 476 -684 -895 -841 -513 -598 -285 479 715 518 366 150 -798 -541 -424 -442 -550 -551 -989 -343 -7 -89 396 449 615 610 327 -1695 -1656 -1367 -120 -714 -280 550 479 -167 -354 921 -283 1204 -64 88 -3200 -489 -485 -422 -132 -459 -340 281 -689 87 566 525 1333 982 -36 9 45 -1289 -1439 -1062 -921 -609 -528 98 185 622 1343 1046 1543 -900 625 -403 -438 -216 -390 438 -237 242 1537 830 2433 3289 4476 3386 2948 1363 1929 1548 932 1094 1617 1702 1187 1052 1599 1047 1236 2417 -43936 3584 2493 2303 -2311 624 409 17 -266 191 302 364 1384 1580 2029 2005 2924 2989 3164 2727 2240 2754 647 412 549 -102 1090 536 628 394 472 -803 -952 -1312 -1486 -1408 -465 -608 -250 527 2311 1764 1235 688 -1015 -1383 -1343 -818 -950 -444 725 1048 739 513 213 -1189 -844 -698 -760 -960 -997 -1859 -668 -13 -178 791 886 1173 1136 599 SS 20231213T043821.4Z 8747.193303 109 1 50.73 2 72.96 107.83 74.49 113.24 0.00 1 0.00 1 0 25 2.518e-02 5.089e-03 2.508e-03 3.443e-04 4.290559e-01 1.800076e-04 4.397575e-03 -6.000000e+00 1.504103e-02 227.96 -2.00 3.06 -2.00 318.42 0.00e+00 4.153907e-04 3.660865e-05 1.345912e-04 -6.000000e+00 6.668661e-04 283.18 -2.00 20.00 -2.00 317.70 0.00e+00 3.362 0.000 302.00 328.00 3 9.8963e-01 4.8724e-04 3.4290e-02 -6.0000e+00 3.7347e-02 -2.8397e-03 5.5507e-04 1.9329e-02 -6.0000e+00 4.0432e-02 -1.1107e-02 3.7605e-04 9.4780e-03 -6.0000e+00 2.4096e-02 -5.4680e-04 1.9560e-04 2.7658e-03 -6.0000e+00 1.0167e-02 6.8197e-03 3.6481e-04 1.0422e-05 3.3081e-05 -6.0000e+00 7.6487e-04 1.4149e-02 0.0000e+00 10 0 0 10 0 0 16.37 17.70 0.25 0.01415 0.01689 809 150 1 5 0 62.610 20.77 15.01 17.70 25.92 51.40 15.8 906.33 -8354 -9248 -7873 -10294 -10455 -12241 -8267 -5636 -5656 -5630 -5598 -4449 -2960 -435 -713 -625 -322 -603 136 -310 378 179 133 -120 -80 -413 -1361 -730 -1055 5 -9 1121 446 -678 -1663 -2572 -1613 -937 -227 -853 -798 -541 -782 -387 -567 -268 -521 -462 -623 187 501 775 1174 939 1012 605 768 567 629 640 934 1265 1502 1114 706 502 -98 172 678 602 417 101 83 -110 72 119 21 -45 -182 -321 -567 -988 -1437 -1283 -1297 -854 -499 -353 -246 206 408 534 650 812 790 592 381 221 -51 -28 -364 -621 -216 -253 -638 -556 -786 -748 -345 -93 -8 -107 34 -35 203 423 387 428 78 -202 -243 -247 -265 192 675 608 911 882 703 748 328 235 -68 134 -166 -177 11 -247 -252 -168 -241 -358 -230 -310 -389 -341 -442 -420 -492 -341 -255 -286 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