File name: Pandora53s1_Potchefstroom-METSI_20240918_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20240918T221229.6Z 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_20240918_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: 20240918 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 20240918T045903.4Z 9027.207679 281 1 50.66 2 78.82 82.43 100.63 262.94 0.00 1 0.00 1 0 25 3.037e-01 1.063e-02 2.078e-01 4.282e-03 5.925747e-01 2.347565e-03 5.961471e-03 -6.000000e+00 1.844297e-01 227.80 -2.00 3.06 -2.00 320.33 0.00e+00 -3.297958e-03 8.787924e-04 8.653628e-04 -6.000000e+00 8.778905e-03 279.75 -2.00 20.00 -2.00 319.76 0.00e+00 4.984 0.001 302.00 328.00 3 4.1361e+00 7.0772e-03 5.0016e-02 -6.0000e+00 4.5917e-01 9.9836e-03 8.9685e-03 2.7514e-02 -6.0000e+00 4.9824e-01 -8.6948e-03 8.5573e-03 1.4826e-02 -6.0000e+00 2.9312e-01 -1.2149e-02 4.3020e-03 5.4311e-03 -6.0000e+00 1.2315e-01 6.6151e-05 -1.4994e-04 1.3110e-04 6.6318e-05 -6.0000e+00 9.6468e-03 8.6181e-03 0.0000e+00 12 9 8 11 32 0 99.63 17.37 0.81 0.00862 0.00749 21 4 1 5 0 2412.050 20.46 15.00 17.37 19.58 46.60 17.2 854.41 -20858 63093 -93085 900000 900000 180431 900000 900000 -10895 -37766 900000 -50496 900000 43534 144417 -88027 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-824 932 -364 -958 1031 -1237 -685 -761 -741 -1851 -410 -644 -297 121 411 147 1371 1644 735 2470 271 411 1590 453 924 -955 -843 -730 -269 -1934 -765 -1379 -867 -1353 -470 907 -1153 824 583 845 290 1027 -274 174 -243 -457 -523 -743 -32 380 591 -275 2162 1303 1384 856 882 -637 -682 -1736 37 -51 -157 -27 -807 -231 168 497 SS 20240918T050430.0Z 9027.211458 284 1 22.52 2 77.61 81.79 101.81 262.35 0.00 1 0.00 1 0 25 3.504e-01 1.041e-02 2.196e-01 5.205e-03 5.448224e-01 2.814379e-03 5.651106e-03 -6.000000e+00 2.110706e-01 227.80 -2.00 3.06 -2.00 319.95 0.00e+00 -1.419101e-03 9.339043e-04 1.675806e-03 -6.000000e+00 9.811156e-03 279.75 -2.00 20.00 -2.00 319.36 0.00e+00 4.533 0.001 302.00 328.00 3 4.1143e+00 8.1960e-03 4.6080e-02 -6.0000e+00 5.2551e-01 -1.0865e-02 1.0041e-02 2.6718e-02 -6.0000e+00 5.7021e-01 2.7673e-02 9.1252e-03 1.3260e-02 -6.0000e+00 3.3671e-01 -2.6137e-02 4.6915e-03 3.7020e-03 -6.0000e+00 1.4279e-01 1.0149e-04 -2.4240e-04 1.5989e-04 5.2418e-05 -6.0000e+00 1.0902e-02 8.9291e-03 0.0000e+00 12 9 9 12 1 1 99.96 17.38 0.49 0.00893 0.00711 11 5 1 5 0 1875.750 20.56 15.00 17.38 19.89 46.40 17.1 856.42 900000 -13948 -26004 900000 3138 37362 900000 297408 137761 900000 13620 40323 900000 179719 48882 -48302 25378 12489 62508 6685 28950 22435 30361 -4852 2419 18172 -7905 24917 44648 3483 15751 29339 -2853 9766 -9390 -8575 6960 -11544 -4414 -18438 872 -783 -6964 3363 -3598 2061 -5003 -290 -2557 4055 -31 3093 -1785 1720 1837 -1897 2606 2407 4806 2208 -573 1965 -602 1822 -802 1783 700 1488 -232 798 -543 -1439 -613 139 2389 -1260 -205 -8114 1041 1718 -1684 -501 -691 -978 -1808 -265 -405 -59 234 1857 1334 1402 2641 719 3380 1358 -430 1157 -349 641 220 -1535 -481 375 -903 -717 -857 -1533 -788 46 28 -946 -126 392 455 -385 -262 37 -24 -527 -516 -377 -148 165 1036 232 748 526 331 918 1152 440 -594 -20 -174 426 130 -371 169 -235 -201 -441 -106 900000 -110 -248 900000 21 189 900000 1508 699 900000 142 361 900000 911 722 -2089 607 373 1259 242 872 741 981 -238 121 829 -479 1094 1578 188 850 1599 -237 763 -884 -807 615 -1416 -616 -3452 153 -151 -1465 671 -759 427 -1098 -62 -576 905 -8 844 -547 552 612 -688 933 870 1667 777 -213 768 -262 852 -394 841 334 716 -120 452 -337 -951 -403 87 1387 -704 -105 -4425 557 1025 -1151 -375 -558 -847 -1654 -249 -395 -59 235 1815 1255 1229 2217 617 2984 1355 -479 1380 -450 829 272 -1810 -539 413 -1045 -863 -1071 -2014 -1088 67 43 -1542 -204 611 692 -563 -385 56 -37 -841 -833 -596 -230 250 1519 334 1038 743 490 1472 1945 771 -1085 -38 -344 858 268 -780 355 -484 -406 -861 -203 SS 20240918T050852.4Z 9027.214495 287 1 4.76 2 76.65 81.27 102.75 261.87 0.00 1 0.00 1 0 25 2.070e-01 8.990e-03 2.142e-01 7.974e-03 5.075993e-01 4.195899e-03 5.167180e-03 -6.000000e+00 1.235887e-01 227.80 -2.00 3.06 -2.00 319.51 0.00e+00 -2.623404e-03 1.200154e-03 6.791480e-04 -6.000000e+00 5.402415e-03 279.75 -2.00 20.00 -2.00 318.89 0.00e+00 4.226 0.000 302.00 328.00 3 3.6224e+00 1.1881e-02 4.2432e-02 -6.0000e+00 3.0713e-01 -2.9081e-02 1.4067e-02 2.3166e-02 -6.0000e+00 3.3267e-01 2.0922e-02 1.1654e-02 1.1937e-02 -6.0000e+00 1.9787e-01 -1.6173e-02 6.0930e-03 3.9791e-03 -6.0000e+00 8.3305e-02 2.2506e-04 -2.0559e-04 2.4101e-04 4.7730e-05 -6.0000e+00 6.2829e-03 9.1550e-03 0.0000e+00 12 9 1 12 1 1 99.29 17.40 0.51 0.00915 0.00761 3 8 1 5 0 1187.840 20.56 15.00 17.40 20.08 46.10 17.2 857.62 547 -43243 17011 90286 -66307 -41466 33573 161241 -37718 93197 -27023 -19265 -14154 42557 4256 -14560 -3482 2614 19319 2786 -2715 5042 -9068 2250 2604 1953 9917 5634 -4304 -6111 -1243 9130 -1680 6329 106 -11083 1776 -2573 85 -9315 -1686 -2531 -4039 2274 -2536 -101 -3507 452 -2777 1135 -1377 -1633 3232 1820 -720 1327 940 1799 2214 1853 45 983 2873 2028 2565 -29 992 148 3480 2031 1428 -1892 -876 -1706 905 247 444 -2843 -2614 76 -298 -962 -2405 -1734 -332 -1093 859 -509 66 1020 -142 2263 131 999 1304 318 833 968 210 -591 -73 -1051 -520 -717 470 -192 173 -1264 -560 -680 -483 -140 -395 1238 -17 -168 191 -388 -909 226 350 -381 -291 -274 767 684 652 1070 219 1069 49 592 -97 -204 -146 -314 -241 838 209 243 -704 150 -1120 6 -772 176 702 -1471 -717 311 1254 -913 725 -693 -505 -416 858 145 -696 -165 127 853 153 -164 288 -632 154 188 151 749 432 -342 -508 -109 828 -191 704 12 -1416 226 -392 15 -2141 -394 -644 -1092 589 -695 -27 -984 123 -803 332 -435 -571 1175 705 -304 575 410 784 972 807 20 462 1467 1111 1455 -17 545 83 2033 1286 980 -1417 -652 -1231 606 156 264 -1667 -1634 52 -227 -793 -2152 -1608 -324 -1123 892 -554 71 1064 -144 2133 122 921 1257 333 963 1204 273 -785 -94 -1281 -611 -839 563 -242 224 -1723 -798 -1019 -755 -224 -638 1960 -26 -251 281 -581 -1417 359 564 -608 -458 -423 1145 999 920 1519 332 1704 82 1033 -176 -373 -278 -625 -487 1707 423 488 -1385 283 -2111 SS 20240918T054538.3Z 9027.240026 306 1 50.75 2 68.57 76.67 110.61 257.68 0.00 1 0.00 1 0 25 2.514e-02 6.797e-03 1.081e-02 2.221e-03 3.361750e-01 1.159348e-03 3.525856e-03 -6.000000e+00 1.501797e-02 227.80 -2.00 3.06 -2.00 317.89 0.00e+00 -7.370089e-04 1.986203e-04 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