File name: Pandora159s1_Wakkerstroom_20241010_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20241010T215325.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20241010_L1_smca1c3d20201207p1-8.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: 20241010 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: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20241010T040757.1Z 9049.172189 66 1 49.69 2 82.11 93.62 124.24 169.25 0.00 1 0.00 1 0 17 5.263e-01 3.115e-02 3.761e-01 1.509e-02 8.361716e-01 8.700346e-03 8.017412e-03 -6.000000e+00 3.060570e-01 227.98 -2.00 3.06 -2.00 322.00 0.00e+00 -4.073853e-03 4.751085e-03 4.612428e-03 -6.000000e+00 1.455044e-02 278.33 -2.00 20.00 -2.00 321.52 0.00e+00 6.815 0.002 302.00 328.00 3 2.7096e+00 3.2189e-02 7.4482e-02 -6.0000e+00 7.6791e-01 6.7616e-01 4.3963e-02 5.8591e-02 -6.0000e+00 8.4109e-01 -9.3779e-01 4.1167e-02 2.3595e-02 -6.0000e+00 4.9102e-01 3.6153e-01 1.9134e-02 8.0831e-03 -6.0000e+00 2.0545e-01 5.5540e-05 -1.3923e-03 4.2274e-04 8.8359e-05 -6.0000e+00 1.4992e-02 1.8162e-02 12 9 8 11 8 0 39.26 19.13 0.50 0.01816 0.00770 32 7 4 8 0 1552.550 14.99 19.13 13.94 21.48 21.48 25.8 818.83 -100751 -90726 -31700 900000 68609 -176260 900000 -218278 900000 -86136 900000 107234 -96612 -132774 85856 -91343 166901 53786 -56708 900000 175443 900000 51641 900000 -87209 89539 -3123 12798 -51851 900000 -42143 -11149 900000 -6333 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1379 -1076 2352 -719 2023 -3314 -2372 -997 2802 762 -700 -644 -2186 -2294 -661 1561 -1601 2040 -3981 1500 -1312 -1283 -2008 -1749 -1851 -3187 1038 -4782 597 -4979 -1540 -4321 -1923 -2244 -265 -721 -2182 -2123 98 2564 2255 3788 851 499 1357 2782 -231 2287 1328 400 2497 2793 5116 1086 1932 522 1342 -831 4766 1522 1512 1925 -18171 1822 -263 4385 -619 -294 SS 20241010T041406.6Z 9049.176466 69 1 49.04 2 80.74 92.93 123.99 167.72 0.00 1 0.00 1 0 25 4.694e-01 8.751e-03 3.454e-01 6.104e-03 7.324033e-01 3.448974e-03 7.109963e-03 -6.000000e+00 2.688963e-01 227.98 -2.00 3.06 -2.00 321.74 0.00e+00 2.802057e-03 1.820682e-03 4.747617e-03 -6.000000e+00 1.291807e-02 278.33 -2.00 20.00 -2.00 321.25 0.00e+00 5.918 0.001 302.00 328.00 3 2.3433e+00 1.2375e-02 6.5774e-02 -6.0000e+00 6.7309e-01 1.6605e-02 1.8646e-02 5.2963e-02 -6.0000e+00 7.3399e-01 -5.3105e-02 2.0913e-02 2.1386e-02 -6.0000e+00 4.3287e-01 8.6530e-03 9.6740e-03 7.1534e-03 -6.0000e+00 1.8420e-01 1.9477e-04 -9.7576e-04 1.7657e-04 7.7521e-05 -6.0000e+00 1.3055e-02 1.8002e-02 11 8 0 10 0 0 26.89 19.13 0.47 0.01800 0.01067 70 15 4 8 0 700.480 15.00 19.13 14.40 21.48 21.48 25.9 821.62 900000 -208534 -180337 -101459 30934 -175641 -151186 900000 -204717 900000 -227848 900000 900000 900000 51803 900000 -79667 -62588 16068 -93724 -27450 943 56432 -38360 54492 -55531 28971 -3129 900000 -3860 -25887 17957 -38893 40458 536 78986 -24385 14882 6053 11227 -11772 9657 -1880 -17473 7097 -2178 4105 470 7109 -6291 6973 -9008 14676 -336 3611 3737 3713 7408 -2258 1122 -5633 8306 518 9776 -4377 1172 336 4901 1750 1191 960 -1955 2047 -1342 3090 1242 4867 -1114 1906 -1332 1317 -1653 -1052 -2780 -760 -4 195 317 -2106 945 1065 1777 136 1091 1179 1651 1116 -196 -960 -94 760 -322 2278 -324 -716 -1755 -1029 -747 -300 -386 -929 -473 -537 -5 133 1316 488 857 -675 -574 -602 292 199 -91 484 126 1843 1188 882 -294 146 91 429 543 -632 -601 529 -60 -410 9 6 188 -282 900000 -1239 -1072 -603 184 -1044 -899 900000 -1770 900000 -2955 900000 900000 900000 308 900000 -904 -676 95 -1620 -252 7 335 -477 324 -960 219 -32 900000 -46 -476 262 -1177 590 11 768 -751 378 209 443 -661 475 -110 -1227 399 -139 255 32 484 -537 591 -1017 1451 -42 466 507 520 993 -323 153 -861 1239 89 1886 -941 235 68 1000 417 330 293 -637 627 -398 794 319 1144 -290 555 -442 502 -743 -515 -1472 -422 -2 120 199 -1344 560 588 915 69 584 721 1178 933 -190 -1019 -98 730 -278 1758 -261 -623 -1630 -1002 -782 -347 -506 -1365 -733 -836 -8 189 1774 673 1236 -1047 -917 -941 432 283 -125 641 161 2251 1554 1326 -510 277 184 915 1237 -1562 -1557 1381 -160 -1088 22 14 413 -606 SS 20241010T042447.4Z 9049.183882 74 1 49.42 2 78.37 91.72 123.46 165.10 0.00 1 0.00 1 0 25 2.446e-01 6.230e-03 1.439e-01 2.228e-03 6.106823e-01 1.173976e-03 6.004919e-03 -6.000000e+00 1.386711e-01 227.98 -2.00 3.06 -2.00 321.05 0.00e+00 3.863161e-03 5.101553e-04 1.634222e-03 -6.000000e+00 6.039808e-03 278.33 -2.00 20.00 -2.00 320.50 0.00e+00 4.807 0.001 302.00 328.00 3 1.7949e+00 3.7677e-03 4.9495e-02 -6.0000e+00 3.4525e-01 2.9753e-02 5.0463e-03 3.2706e-02 -6.0000e+00 3.7567e-01 -4.3632e-02 5.2301e-03 1.4745e-02 -6.0000e+00 2.2316e-01 4.5392e-03 2.5550e-03 6.5375e-03 -6.0000e+00 9.4086e-02 8.7685e-04 -8.9853e-04 6.3035e-05 5.6847e-05 -6.0000e+00 6.5451e-03 1.8101e-02 10 0 0 10 0 0 28.50 19.13 0.30 0.01810 0.01135 180 39 4 8 0 274.510 15.00 19.13 15.53 21.48 21.48 26.1 827.02 -71728 -89078 -18688 -80465 -106829 -40359 -85131 -22029 -79545 144864 -57495 4344 -66592 -32674 -34694 11066 -21991 -3723 -3696 -18727 5580 -25872 -1239 -20664 -5958 -17616 -11820 -7720 -14667 -10234 -3515 2686 -1090 4789 -259 3748 -11634 3693 -1550 -157 -5606 -592 -2270 518 183 -1182 3330 -2714 1433 -165 1594 -399 2793 49 1311 -1300 -629 -772 616 970 594 2382 2667 2235 63 2277 593 1080 1004 1427 206 69 1 152 585 401 1587 46 1150 -281 78 -1297 -1881 -1454 -968 -801 -677 36 22 377 418 1071 529 1503 614 628 652 164 -612 -323 -8 -71 1435 34 -996 -1044 -546 -980 -50 -371 -313 -529 23 162 656 1512 754 784 -397 -791 -816 120 -422 46 415 -20 1638 1419 227 101 274 -124 232 81 -187 -550 187 -164 -540 -19 24 74 296 -368 -633 -77 -540 -865 -184 -605 -105 -691 315 -500 24 -855 -387 -528 127 -395 -62 -66 -414 99 -634 -25 -551 -148 -518 -331 -203 -414 -303 -117 100 -49 212 -12 161 -653 214 -117 -14 -581 -63 -257 58 21 -142 392 -352 186 -23 248 -71 524 10 285 -302 -148 -181 139 216 139 607 772 725 22 741 193 361 375 561 89 31 1 63 240 148 544 17 457 -134 40 -758 -1200 -977 -692 -609 -541 29 17 290 299 708 337 985 456 539 644 185 -749 -390 -9 -71 1307 32 -1027 -1137 -623 -1200 -67 -552 -510 -903 38 261 985 2159 1096 1197 -652 -1355 -1381 193 -659 69 597 -28 2153 1963 358 180 527 -253 492 169 -419 -1295 446 -399 -1312 -43 53 164 640 SS 20241010T043141.7Z 9049.188677 77 1 49.39 2 76.84 90.94 123.07 163.43 0.00 1 0.00 1 0 25 1.049e-01 6.063e-03 5.980e-02 1.423e-03 5.490636e-01 7.388456e-04 5.493299e-03 -6.000000e+00 5.945256e-02 227.98 -2.00 3.06 -2.00 320.65 0.00e+00 2.915312e-03 2.888805e-04 1.373835e-03 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