File name: Pandora53s1_Potchefstroom-METSI_20231203_L2Fit_fout2c2d20230223p1-8.txt File generation date: 20240824T155055.8Z 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_20231203_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: 20231203 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 20231203T041311.5Z 8737.175827 180 1 49.97 2 77.80 108.75 50.82 335.33 0.00 1 0.00 1 0 25 2.732e-01 8.219e-02 1.301e-01 4.344e-03 5.938213e-01 2.380677e-03 7.459788e-03 -6.000000e+00 1.657230e-01 228.13 -2.00 3.06 -2.00 319.91 0.00e+00 -3.475962e-02 7.877728e-04 3.224053e-03 -6.000000e+00 7.835193e-03 282.74 -2.00 20.00 -2.00 319.25 0.00e+00 4.597 0.001 302.00 328.00 3 4.6119e+00 6.9919e-03 4.7967e-02 -6.0000e+00 4.1290e-01 -3.8469e-02 8.5429e-03 3.3537e-02 -6.0000e+00 4.4768e-01 1.7721e-01 7.4933e-03 4.5890e-02 -6.0000e+00 2.6409e-01 -1.2942e-01 3.8339e-03 4.2327e-02 -6.0000e+00 1.1107e-01 5.9165e-05 -3.2414e-03 1.3314e-04 4.2660e-04 -6.0000e+00 8.6080e-03 1.1715e-02 0.0000e+00 12 9 8 11 8 0 -1.11 17.73 0.18 0.01172 -0.01264 13 2 1 5 0 3841.900 20.77 15.00 17.73 23.47 49.40 15.7 890.81 -84180 -160657 -125109 900000 -104925 25906 900000 900000 -26352 15041 900000 88 900000 22449 9299 -92809 -6183 -20797 -18188 -15030 -24845 -13372 2589 -22511 8393 37691 29813 62840 68209 20040 7106 17024 -10276 -30166 -15641 -19715 -13853 -11090 9890 6217 20514 21129 17573 20783 6411 12145 -2994 -5552 -2889 -736 184 -2621 1876 7860 7297 13670 20894 27948 25546 17183 11851 8876 4371 2816 3432 4711 4728 4796 5261 7048 4847 6909 8978 -72292 15235 11452 13176 6476 3026 1865 400 1550 2003 3219 2897 5064 6070 6059 6196 6978 6671 7385 8544 6477 7210 2761 515 1000 -92 926 457 537 784 67 -443 -480 -845 -1485 -1189 -2033 -786 -177 1617 2556 3074 2122 1374 -875 -913 -1782 -1112 -964 -1288 -305 564 641 -174 -423 -2896 -2888 -2521 -1506 -1945 -2060 -1929 286 493 393 1003 1407 1380 1760 1312 -692 -2941 -1721 900000 -1167 110 900000 900000 -354 169 900000 1 900000 342 172 -4825 -158 -638 -581 -495 -938 -502 97 -1310 472 1877 1697 2480 2263 967 397 939 -805 -3036 -1419 -1867 -1400 -1364 1297 1062 3638 4010 3554 3982 1353 2316 -643 -1206 -622 -164 45 -723 555 2445 2483 4823 7439 9604 8805 6116 4306 3413 1856 1291 1637 2192 2155 2240 2669 3932 3045 4471 5800 -86249 8708 6146 6476 3273 1648 1127 270 1157 1626 2738 2605 4772 5858 6025 6150 6777 6106 6396 7114 5501 6361 2727 564 1195 -116 1180 571 629 864 74 -511 -579 -1057 -1942 -1631 -2979 -1224 -283 2581 4005 4620 3098 2006 -1311 -1409 -2855 -1793 -1523 -2006 -461 826 901 -241 -590 -4308 -4607 -4254 -2654 -3569 -3884 -3818 580 1023 822 2097 2904 2754 3414 2502 SS 20231203T041849.1Z 8737.179735 183 1 50.38 2 76.61 108.21 51.33 333.80 0.00 1 0.00 1 0 25 2.091e-01 5.588e-02 9.350e-02 3.494e-03 5.325921e-01 1.873773e-03 5.758042e-03 -6.000000e+00 1.259061e-01 228.13 -2.00 3.06 -2.00 319.58 0.00e+00 -1.727051e-02 5.544579e-04 1.559622e-03 -6.000000e+00 5.638150e-03 282.74 -2.00 20.00 -2.00 318.91 0.00e+00 4.214 0.000 302.00 328.00 3 4.5838e+00 5.3555e-03 4.3111e-02 -6.0000e+00 3.1277e-01 -2.1079e-02 6.3799e-03 2.6257e-02 -6.0000e+00 3.3872e-01 9.5873e-02 5.2549e-03 2.2948e-02 -6.0000e+00 2.0112e-01 -7.2852e-02 2.7287e-03 1.9740e-02 -6.0000e+00 8.4660e-02 8.5814e-05 -2.0267e-03 1.0637e-04 1.9805e-04 -6.0000e+00 6.4694e-03 1.2962e-02 0.0000e+00 12 8 8 10 0 0 60.21 17.77 0.32 0.01296 -0.00227 16 3 1 5 0 3147.720 20.87 15.01 17.77 24.06 49.10 15.7 894.74 -61594 -82954 -98281 900000 -45684 -6300 900000 81258 2991 -18205 100735 1898 76852 16519 -18881 -66323 -10356 -8925 -12996 -12222 -12895 -1581 -2847 -3367 -2 18173 -9158 21474 27474 5848 3212 10957 -13496 -14715 -9108 -16019 -7305 -10624 4024 4000 10089 10811 8273 9101 1160 5142 -1841 -2003 -3109 -592 -1787 480 2007 5247 5620 6748 11164 14499 13297 10090 4030 5312 2392 3104 2305 3323 3159 2273 2351 4629 1641 2383 4736 -55280 8473 5099 6345 3554 1811 1812 -1318 312 174 1835 1238 3246 3549 3194 3090 4021 4581 4052 4384 3268 3753 1463 521 777 204 1430 601 184 239 -50 -777 -809 -838 -1486 -947 -832 -758 -339 1175 1484 1849 1695 78 -611 -1163 -1032 -907 -390 -425 139 952 593 72 268 -1501 -1517 -1147 -989 -1303 -1385 -1401 462 132 330 742 522 952 990 534 -821 -1491 -2167 900000 -578 -57 900000 470 44 -390 769 40 885 386 -700 -4227 -435 -387 -628 -621 -693 -80 -161 -225 0 1286 -857 1449 1621 418 250 883 -1507 -1734 -1043 -1945 -903 -1646 662 812 2182 2524 2052 2239 303 1271 -482 -524 -839 -164 -534 156 691 1917 2220 2760 4610 5896 5365 4076 1725 2362 1171 1607 1253 1755 1662 1198 1340 2861 1140 1712 3359 -60350 5420 3056 3514 1962 1070 1183 -978 253 150 1668 1190 3207 3618 3371 3270 4162 4511 3810 3895 2920 3494 1526 587 960 265 1861 767 221 276 -57 -930 -1011 -1083 -2012 -1322 -1226 -1194 -553 1900 2348 2796 2469 113 -918 -1789 -1637 -1459 -623 -658 210 1388 845 100 377 -2239 -2417 -1923 -1734 -2330 -2569 -2688 909 265 677 1525 1052 1873 1879 999 SS 20231203T042451.2Z 8737.183926 186 1 51.28 2 75.32 107.64 51.92 332.19 0.00 1 0.00 1 0 25 1.044e-01 7.065e-03 4.750e-02 2.815e-03 4.805674e-01 1.481123e-03 4.895389e-03 -6.000000e+00 6.237780e-02 228.13 -2.00 3.06 -2.00 319.26 0.00e+00 2.756765e-04 3.920493e-04 2.647844e-04 -6.000000e+00 2.758276e-03 282.74 -2.00 20.00 -2.00 318.58 0.00e+00 3.868 0.000 302.00 328.00 3 4.5171e+00 4.1450e-03 3.9209e-02 -6.0000e+00 1.5497e-01 2.2818e-02 4.8433e-03 2.1909e-02 -6.0000e+00 1.6775e-01 -1.6963e-02 3.7373e-03 1.0752e-02 -6.0000e+00 9.9932e-02 -3.3566e-03 1.9591e-03 3.1389e-03 -6.0000e+00 4.2145e-02 1.2357e-04 1.1047e-04 8.5167e-05 3.7722e-05 -6.0000e+00 3.1693e-03 1.2295e-02 0.0000e+00 11 8 0 10 0 0 70.60 17.82 0.21 0.01230 0.01313 20 4 1 5 0 2562.960 20.87 15.00 17.82 24.88 49.10 15.7 900.39 -29155 -25231 -35301 64113 -27184 -2874 30546 26338 -15696 -14810 32419 -19266 46552 4019 8687 -23946 -1909 -878 -3168 5345 -5196 3747 6432 -6237 -7487 -1080 -12209 3406 9968 -3491 4988 8738 -1561 -7684 -7788 -6243 -3718 -2139 -199 -2898 -1434 -790 -1937 1499 -1276 -801 -30 -1342 732 164 1050 1281 -1 4120 566 1187 1152 2440 1445 1092 664 2134 1771 1288 1457 1634 728 481 -230 1042 -1275 -714 -386 -48 460 -882 -95 -1108 -367 -331 -318 -1172 -1364 -1439 -1183 -711 -444 -133 -123 1177 314 983 1258 215 1579 327 385 337 41 654 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