File name: Pandora53s1_Potchefstroom-METSI_20230818_L2Fit_fout2c0d20220413p1-8.txt File generation date: 20230819T160647.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c0p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v103d20220413.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20230818_L1_smca1c0d20220413p1-8.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: 20230818 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: None First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0881 305.2288 305.3695 305.5101 305.6508 305.7914 305.9321 306.0727 306.2133 306.3539 306.4945 306.6351 306.7757 306.9162 307.0568 307.1973 307.3378 307.4784 307.6189 307.7593 307.8998 308.0403 308.1807 308.3212 308.4616 308.6020 308.7424 308.8828 309.0232 309.1636 309.3040 309.4443 309.5847 309.7250 309.8653 310.0056 310.1459 310.2862 310.4264 310.5667 310.7069 310.8472 310.9874 311.1276 311.2678 311.4080 311.5482 311.6883 311.8285 311.9686 312.1088 312.2489 312.3890 312.5291 312.6692 312.8092 312.9493 313.0893 313.2294 313.3694 313.5094 313.6494 313.7894 313.9294 314.0694 314.2093 314.3493 314.4892 314.6291 314.7690 314.9089 315.0488 315.1887 315.3285 315.4684 315.6082 315.7480 315.8878 316.0276 316.1674 316.3072 316.4470 316.5867 316.7265 316.8662 317.0059 317.1456 317.2853 317.4250 317.5647 317.7044 317.8440 317.9836 318.1233 318.2629 318.4025 318.5421 318.6816 318.8212 318.9608 319.1003 319.2398 319.3794 319.5189 319.6584 319.7978 319.9373 320.0768 320.2162 320.3556 320.4951 320.6345 320.7739 320.9133 321.0526 321.1920 321.3314 321.4707 321.6100 321.7493 321.8887 322.0279 322.1672 322.3065 322.4458 322.5850 322.7242 322.8635 323.0027 323.1419 323.2810 323.4202 323.5594 323.6985 323.8377 323.9768 324.1159 324.2550 324.3941 324.5332 324.6722 324.8113 324.9503 --------------------------------------------------------------------------------------- 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 20230818T052207.5Z 8630.223698 88 1 50.36 2 81.48 70.60 97.95 83.37 0.00 1 0.00 1 0 25 5.292e-01 2.119e-02 2.769e-01 6.512e-03 7.272709e-01 3.748514e-03 7.108593e-03 -6.000000e+00 3.231516e-01 226.68 -2.00 3.06 -2.00 321.14 0.00e+00 -4.126843e-03 1.750138e-03 9.421428e-04 -6.000000e+00 1.582949e-02 278.95 -2.00 20.00 -2.00 320.63 0.00e+00 6.368 0.001 302.00 328.00 3 3.9077e+00 1.2421e-02 6.3700e-02 -6.0000e+00 8.0105e-01 2.4276e-01 1.6656e-02 3.5955e-02 -6.0000e+00 8.6928e-01 -3.6474e-01 1.6326e-02 1.8119e-02 -6.0000e+00 5.1454e-01 1.3948e-01 7.8082e-03 7.2072e-03 -6.0000e+00 2.1726e-01 2.3569e-05 -3.0481e-04 1.9905e-04 8.8639e-05 -6.0000e+00 1.7284e-02 -4.6929e-02 -2.5320e-05 12 9 9 12 4 4 49.98 16.81 0.52 -0.04693 -0.04922 21 4 1 5 0 2397.420 20.04 15.00 16.81 16.74 43.40 14.7 856.82 -102416 -240525 -168587 900000 900000 -140902 900000 -105368 -63087 -45927 900000 -8836 900000 900000 -55524 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3644 407 -122 2024 776 2593 1843 2123 2342 2901 348 2254 -1517 -2042 -937 167 2828 -1865 48 -11447 -452 3489 -583 42 -1681 -1449 -3738 82 512 577 1207 320 200 1702 2579 -359 3587 -1938 -587 1319 -2479 1711 -2525 -552 -682 -1580 -1450 -2193 -1289 -2837 -109 -587 354 -1876 892 688 508 1464 440 1324 772 175 175 -972 -154 69 1767 2290 976 2565 1194 1382 563 1703 -459 -118 -2841 1413 -953 176 -953 -462 -129 -955 -266 SS 20230818T053555.6Z 8630.233282 93 1 50.72 2 78.58 68.88 94.96 81.95 0.00 1 0.00 1 0 25 2.149e-01 6.820e-03 1.137e-01 2.166e-03 5.815204e-01 1.165078e-03 5.858743e-03 -6.000000e+00 1.299355e-01 226.68 -2.00 3.06 -2.00 320.18 0.00e+00 1.070860e-03 4.140180e-04 9.559127e-04 -6.000000e+00 5.697958e-03 278.95 -2.00 20.00 -2.00 319.61 0.00e+00 4.887 0.001 302.00 328.00 3 3.3627e+00 3.4422e-03 4.9166e-02 -6.0000e+00 3.2206e-01 2.5373e-03 4.2370e-03 2.7583e-02 -6.0000e+00 3.4892e-01 -3.2934e-02 3.8893e-03 1.3461e-02 -6.0000e+00 2.0772e-01 1.4190e-03 1.9810e-03 4.3865e-03 -6.0000e+00 8.7227e-02 1.5723e-04 -5.6692e-04 6.6102e-05 5.2270e-05 -6.0000e+00 6.7809e-03 -4.6815e-02 -1.0538e-04 12 9 1 12 4 4 98.60 16.85 0.36 -0.04681 -0.05107 78 14 1 5 0 649.890 20.04 15.00 16.85 17.61 43.10 14.8 862.91 -97178 -57860 -88692 99307 -71045 -59264 69896 -71628 -14918 -56633 39787 -61066 21374 -18500 3626 -40765 -28485 -5650 -12589 11020 -6570 8617 1111 -14551 -7780 -11653 1312 -10035 16272 -11689 -3976 4473 -1414 -4637 -7759 -1471 -10022 134 -1039 -2867 129 -1936 791 302 -638 -1927 1126 -1376 1198 2166 1562 3159 464 4153 -626 2746 880 1688 1720 517 758 240 2464 913 2004 896 890 1363 820 2368 -1081 -709 -1144 892 -72 -317 465 -4078 434 -393 -527 -1483 -1222 -1319 -1689 -367 -427 180 -452 173 434 1260 1458 676 1944 440 889 106 -126 431 -31 -839 -373 324 -976 -593 -991 -692 -841 -25 -44 -496 260 -150 359 339 622 422 -44 -257 -604 -78 -400 87 426 602 689 1102 611 388 463 122 134 -39 -334 -83 -152 -149 -422 -9 -130 27 -3 -1157 -599 -1226 231 -870 -638 221 -1059 -142 -897 261 -1126 230 -371 72 -1362 -957 -167 -433 317 -235 271 39 -654 -356 -588 59 -505 628 -629 -224 271 -104 -378 -657 -118 -951 13 -118 -393 20 -326 137 54 -118 -366 212 -272 240 457 363 801 133 1148 -193 859 289 554 557 168 252 87 971 404 926 418 409 636 386 1236 -645 -445 -725 532 -40 -162 236 -1990 218 -229 -357 -1076 -975 -1131 -1454 -332 -408 176 -448 166 392 1128 1243 585 1794 438 949 129 -158 548 -38 -1011 -414 352 -1125 -723 -1283 -899 -1185 -36 -70 -799 420 -237 564 510 921 645 -71 -413 -987 -125 -652 136 639 866 1015 1642 940 631 825 222 257 -76 -686 -172 -327 -326 -929 -18 -278 55 -6 SS 20230818T054200.5Z 8630.237506 96 1 50.43 2 77.31 68.09 93.64 81.32 0.00 1 0.00 1 0 25 9.610e-02 5.586e-03 2.890e-02 1.409e-03 5.318637e-01 7.509257e-04 5.410948e-03 -6.000000e+00 5.808970e-02 226.68 -2.00 3.06 -2.00 319.67 0.00e+00 1.132895e-03 2.252692e-04 7.008983e-04 -6.000000e+00 2.547537e-03 278.95 -2.00 20.00 -2.00 319.07 0.00e+00 4.433 0.000 302.00 328.00 3 3.0383e+00 2.1357e-03 4.4567e-02 -6.0000e+00 1.4398e-01 -5.3780e-03 2.5420e-03 2.4793e-02 -6.0000e+00 1.5599e-01 -2.1103e-02 2.1419e-03 1.2088e-02 -6.0000e+00 9.2864e-02 -2.3469e-03 1.1138e-03 3.9028e-03 -6.0000e+00 3.8994e-02 3.3006e-04 -5.1326e-04 4.3312e-05 4.6043e-05 -6.0000e+00 3.0317e-03 -4.6898e-02 -1.2690e-04 12 1 1 12 4 4 99.18 16.87 0.29 -0.04690 -0.05075 114 21 1 5 0 442.300 20.14 15.00 16.87 17.92 43.40 14.7 865.25 -21544 -55545 -33971 -7419 -32721 -35228 -12908 -33102 -35699 -28339 -21217 -31369 8209 -9979 -6121 -16841 -2865 -2076 -264 -4256 -1299 1981 -2871 -3218 -2179 -2400 -7394 -706 -661 -2375 472 608 -601 -3244 -2224 -2561 -2115 -2553 -1710 -2296 -1566 -920 -1449 590 -925 964 -586 -728 260 1189 2035 864 1165 1873 631 605 938 1428 743 1029 433 1214 1557 766 941 889 504 697 614 887 -269 -237 -298 -455 158 628 -152 -979 -416 -160 -436 -973 -1359 -1069 -1501 -761 -325 -141 -312 321 537 735 965 1322 1344 847 462 430 -204 82 -325 -454 113 104 -785 -819 -691 -939 -418 -102 -284 -436 -157 -95 305 481 739 531 75 -314 -538 -239 -411 -62 552 589 719 1237 598 598 335 95 -105 148 -154 -149 -28 -193 -383 -213 -22 -124 -23 -240 -1008 -532 -89 -481 -523 -163 -578 -721 -580 -435 -793 167 -300 -216 -707 -118 -93 -13 -222 -68 103 -163 -197 -143 -167 -552 -49 -45 -172 37 55 -62 -369 -251 -292 -260 -339 -272 -435 -333 -211 -351 144 -234 243 -152 -193 70 336 571 270 398 685 248 248 395 601 311 426 185 516 731 398 512 480 267 373 354 534 -180 -168 -212 -312 100 387 -88 -559 -253 -104 -325 -775 -1195 -945 -1420 -762 -342 -145 -322 339 535 681 899 1227 1260 899 529 526 -273 106 -424 -547 133 121 -914 -1013 -902 -1241 -592 -151 -435 -703 -255 -149 472 708 1072 795 118 -499 -871 -380 -633 -97 817 880 1039 1798 899 947 579 167 -195 276 -305 -299 -59 -393 -785 -443 -44 -244 -45 SS 20230818T054733.5Z 8630.241360 99 1 50.56 2 76.16 67.36 92.44 80.75 0.00 1 0.00 1 0 25 6.700e-02 5.453e-03 1.565e-02 1.087e-03 4.952760e-01 5.749018e-04 5.052488e-03 -6.000000e+00 4.051492e-02 226.68 -2.00 3.06 -2.00 319.36 0.00e+00 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