File name: Pandora159s1_Wakkerstroom_20240511_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T122137.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240511_L1_smca1c7d20231113p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20240511 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: new FC bc steadily increasing wrms First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0825 305.2233 305.3641 305.5049 305.6457 305.7864 305.9272 306.0679 306.2087 306.3494 306.4901 306.6308 306.7715 306.9122 307.0528 307.1935 307.3341 307.4747 307.6153 307.7560 307.8965 308.0371 308.1777 308.3183 308.4588 308.5993 308.7399 308.8804 309.0209 309.1614 309.3019 309.4423 309.5828 309.7232 309.8637 310.0041 310.1445 310.2849 310.4253 310.5657 310.7060 310.8464 310.9867 311.1270 311.2674 311.4077 311.5480 311.6882 311.8285 311.9688 312.1090 312.2493 312.3895 312.5297 312.6699 312.8101 312.9503 313.0904 313.2306 313.3708 313.5109 313.6510 313.7911 313.9312 314.0713 314.2114 314.3514 314.4915 314.6315 314.7716 314.9116 315.0516 315.1916 315.3316 315.4715 315.6115 315.7514 315.8914 316.0313 316.1712 316.3111 316.4510 316.5909 316.7307 316.8706 317.0104 317.1503 317.2901 317.4299 317.5697 317.7095 317.8493 317.9890 318.1288 318.2685 318.4082 318.5479 318.6876 318.8273 318.9670 319.1067 319.2463 319.3860 319.5256 319.6652 319.8048 319.9444 320.0840 320.2236 320.3632 320.5027 320.6422 320.7818 320.9213 321.0608 321.2003 321.3398 321.4792 321.6187 321.7581 321.8976 322.0370 322.1764 322.3158 322.4552 322.5945 322.7339 322.8732 323.0126 323.1519 323.2912 323.4305 323.5698 323.7091 323.8484 323.9876 324.1269 324.2661 324.4053 324.5445 324.6837 324.8229 324.9621 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°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 20240511T045653.5Z 8897.206174 43 1 50.13 2 85.39 66.99 126.01 73.03 0.00 1 0.00 1 0 25 5.531e-01 7.925e-02 5.606e-01 5.677e-02 8.764131e-01 3.415014e-02 8.292143e-03 -6.000000e+00 3.298122e-01 225.08 -2.00 3.06 -2.00 322.31 0.00e+00 2.196916e-02 1.696809e-02 1.224051e-02 -6.000000e+00 1.750820e-02 278.98 -2.00 20.00 -2.00 321.85 0.00e+00 10.472 0.007 302.00 328.00 3 1.4121e+00 1.2740e-01 1.3049e-01 -6.0000e+00 8.2668e-01 1.3641e+00 1.5275e-01 1.3231e-01 -6.0000e+00 9.1373e-01 -1.7622e+00 1.0337e-01 2.9198e-02 -6.0000e+00 5.2894e-01 7.1618e-01 5.3695e-02 2.1871e-02 -6.0000e+00 2.2047e-01 1.0067e-05 -1.9420e-03 1.6666e-03 1.0886e-04 -6.0000e+00 1.5825e-02 -4.4071e-03 0.0000e+00 12 8 8 10 0 0 34.83 18.95 1.36 -0.00441 -0.01900 18 4 4 8 0 2783.230 14.99 18.95 12.36 21.27 21.17 25.9 812.67 10543 -101579 900000 241710 900000 900000 26326 900000 900000 900000 -163985 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-456 900000 900000 6139 2537 -4381 900000 5806 900000 2484 2796 754 1721 10994 900000 900000 -3841 1550 -2778 1424 3241 11867 6374 198 -1560 3318 -470 4114 4936 -2004 4402 178 -3561 2854 4113 6132 6974 -7135 5989 3314 -270 -6888 -1598 2231 -3393 3571 3042 240 -4856 1206 -6124 4831 -1250 6180 4628 -6306 4547 2595 -9227 -1059 3602 -2565 -3220 2186 8726 2091 3538 -685 -144 2584 2640 -1661 -12087 1568 -4961 -3074 6625 1805 -11326 5920 484 287 3785 -2057 -7675 -1864 -11163 2572 4325 6881 2611 4420 153 12693 2133 3491 -4576 -5521 5901 1724 627 -13701 -7342 -3038 61287 -6118 -10682 -1621 -6322 -3519 SS 20240511T051101.9Z 8897.215994 46 1 49.34 2 82.52 65.23 123.16 72.07 0.00 1 0.00 1 0 25 4.991e-01 8.755e-03 3.171e-01 4.934e-03 7.191388e-01 2.676743e-03 6.856397e-03 -6.000000e+00 2.823477e-01 225.08 -2.00 3.06 -2.00 321.71 0.00e+00 6.474114e-03 1.470807e-03 3.145890e-03 -6.000000e+00 1.251824e-02 278.98 -2.00 20.00 -2.00 321.22 0.00e+00 7.140 0.002 302.00 328.00 3 1.0347e+00 9.7394e-03 7.0444e-02 -6.0000e+00 6.9849e-01 8.4159e-02 1.4846e-02 4.7194e-02 -6.0000e+00 7.6148e-01 -1.1945e-01 1.6598e-02 1.9160e-02 -6.0000e+00 4.5180e-01 4.0201e-02 7.6269e-03 1.0101e-02 -6.0000e+00 1.9150e-01 2.8837e-04 -7.8377e-04 1.3807e-04 8.0101e-05 -6.0000e+00 1.3544e-02 -3.5914e-03 0.0000e+00 11 8 0 10 0 0 22.60 18.95 0.35 -0.00359 -0.00948 138 30 4 8 0 357.460 14.99 18.95 13.26 21.27 21.17 25.9 817.66 -179319 -225466 -178847 -132227 -139503 -71339 900000 -258463 30300 -210603 -64988 -125009 900000 -92870 37952 -39351 -73171 -5922 -72335 -14011 -5955 -30100 24321 -25133 -82578 15497 -34637 -6739 -19802 -35567 58298 -22562 51911 -997 1801 -41610 6042 -20400 -639 -10684 -1239 6931 -5960 9677 -6088 4254 -15031 14589 -1840 5703 5033 5628 11715 12832 -219 4863 -1603 1926 4147 -1566 9724 3016 4332 1850 4917 2905 3045 139 1738 1149 479 2082 -1582 4176 -1400 2654 474 788 -2279 665 -3270 340 -2761 337 -790 -1364 25 -860 720 -192 2306 88 2239 904 325 -426 411 526 -445 164 -757 794 -370 892 -2307 -301 -2158 -298 -1010 -258 -315 -607 618 162 651 904 1100 78 -57 -1096 -480 -29 -485 247 374 940 723 1923 117 446 -42 395 60 504 -398 -366 8 -117 -425 -359 149 -87 444 -863 -1873 -1017 -636 -671 -343 900000 -3617 146 -2210 -313 -782 900000 -759 183 -303 -832 -43 -1012 -128 -52 -333 164 -302 -1733 142 -533 -78 -267 -633 505 -493 699 -22 42 -1346 148 -714 -23 -500 -60 333 -347 499 -378 247 -1104 842 -134 419 420 529 1147 1358 -28 619 -224 258 528 -209 1212 451 741 370 1013 603 630 31 429 330 152 678 -525 1227 -395 645 112 192 -658 225 -1358 156 -1439 181 -458 -848 16 -576 472 -122 1335 49 1184 509 211 -326 364 492 -459 169 -796 732 -315 757 -2179 -295 -2278 -333 -1259 -332 -453 -932 943 240 911 1216 1495 113 -88 -1758 -751 -43 -762 373 545 1314 983 2730 193 770 -81 806 131 1158 -989 -957 21 -317 -1146 -926 359 -197 965 SS 20240511T051752.5Z 8897.220746 49 1 49.35 2 81.15 64.35 121.79 71.59 0.00 1 0.00 1 0 25 3.677e-01 7.482e-03 2.180e-01 2.436e-03 6.408627e-01 1.291932e-03 6.307233e-03 -6.000000e+00 2.064963e-01 225.08 -2.00 3.06 -2.00 321.34 0.00e+00 3.299666e-03 6.236688e-04 2.269859e-03 -6.000000e+00 9.108321e-03 278.98 -2.00 20.00 -2.00 320.81 0.00e+00 6.160 0.001 302.00 328.00 3 8.2361e-01 4.3664e-03 5.9692e-02 -6.0000e+00 5.1061e-01 3.8937e-02 6.1256e-03 3.6428e-02 -6.0000e+00 5.5640e-01 -4.7820e-02 6.5717e-03 1.6115e-02 -6.0000e+00 3.3139e-01 8.8168e-03 3.1380e-03 6.5360e-03 -6.0000e+00 1.4092e-01 8.1667e-04 -7.4500e-04 6.9341e-05 6.1595e-05 -6.0000e+00 9.8261e-03 -3.9962e-03 0.0000e+00 11 8 0 10 0 0 25.18 18.94 0.32 -0.00400 -0.00959 250 54 2 8 0 197.350 14.99 18.94 13.96 21.27 21.06 26.1 821.75 -175460 143066 -156114 -2218 -84343 -123759 -37824 -125249 107213 -95720 80963 -136224 36037 -89108 4198 -58250 8611 -37116 -24327 9095 -18136 10964 -42505 13678 -22370 21969 -37801 24591 -31199 7850 -19909 -3862 -3043 -2797 20292 -11078 5395 -3218 10471 -9612 9042 -6342 3874 485 2692 -3140 1948 4146 -1669 5870 -1852 4176 -1010 5149 -860 3016 -1880 1224 -272 962 3227 317 5360 -111 3483 -468 4378 537 3288 -655 262 -712 -234 -305 -959 1293 -1198 1102 -931 1275 -1305 -660 -2186 -416 -1442 -572 -219 -990 656 -212 1302 -287 2073 326 2127 -1 1246 -76 -525 -167 -272 503 671 726 -2185 -421 -1212 -177 -645 -191 -478 -326 -15 345 691 1163 923 152 -56 -1246 -442 -296 154 -465 729 147 1346 1569 309 381 -268 391 -64 514 -460 -333 7 -101 -691 -71 132 14 343 -1554 340 -1450 -5 -381 -748 -117 -974 255 -682 192 -1795 120 -1232 32 -906 86 -593 -373 106 -286 130 -909 183 -469 313 -996 374 -755 141 -568 -113 -103 -101 561 -419 192 -151 529 -710 625 -552 321 43 237 -302 183 397 -178 626 -239 570 -160 834 -157 554 -373 234 -52 178 606 68 1255 -31 983 -134 1177 156 1035 -227 99 -283 -91 -112 -353 417 -372 341 -333 531 -599 -343 -1263 -250 -938 -394 -158 -740 480 -150 847 -177 1312 200 1441 -1 1145 -81 -609 -193 -293 480 587 645 -2154 -432 -1321 -204 -822 -272 -754 -542 -24 546 1029 1651 1324 231 -90 -2120 -738 -474 237 -697 1038 203 1768 2154 487 677 -525 806 -140 1182 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