File name: Pandora159s1_Wakkerstroom_20231128_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240122T123023.9Z 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 v1.8.59 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20231128_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: 20231128 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 20231128T040149.5Z 8732.167934 194 1 9.73 2 77.34 107.57 97.84 296.45 0.00 1 0.00 1 0 17 3.922e-01 2.778e-02 2.767e-01 1.423e-02 5.330893e-01 7.465837e-03 5.559345e-03 -6.000000e+00 2.259553e-01 228.10 -2.00 3.06 -2.00 320.46 0.00e+00 7.229049e-03 2.786204e-03 1.765553e-03 -6.000000e+00 1.034444e-02 280.44 -2.00 20.00 -2.00 319.87 0.00e+00 4.441 0.001 302.00 328.00 3 4.2775e+00 2.2665e-02 4.3528e-02 -6.0000e+00 5.6435e-01 7.1927e-02 2.8115e-02 2.4456e-02 -6.0000e+00 6.1482e-01 -1.2928e-01 2.5290e-02 1.5519e-02 -6.0000e+00 3.6180e-01 6.6527e-02 1.2807e-02 8.3221e-03 -6.0000e+00 1.5455e-01 1.0357e-04 -4.9679e-04 4.0870e-04 9.3440e-05 -6.0000e+00 1.0910e-02 -2.5668e-03 12 9 9 12 1 1 999.00 20.18 0.29 -0.00257 -0.00630 2 3 2 8 0 3232.900 14.99 20.18 23.76 22.29 22.19 26.7 880.81 900000 130848 900000 -178619 900000 -150123 -118974 900000 900000 162152 63337 44612 160865 -69666 900000 130100 -79169 73366 21455 67830 55664 11109 -8789 2416 1628 58345 -37045 -14871 -7341 11864 1497 7915 15617 -16713 33010 32748 57609 -15822 -16071 12093 2759 18040 4223 11462 -2148 2707 4834 5006 20053 16288 11701 -4476 11881 -2762 1313 5647 7356 -6793 344 -2106 8287 -4418 4696 7018 -2201 3484 2521 4715 3806 6521 -2492 2613 -4910 -2491 2204 1210 3876 -216 3705 7337 3136 -2571 -2557 -6272 2139 -4153 2110 -2694 1773 854 1019 -3023 1468 877 -96 -795 572 -572 -431 189 -2282 1577 928 1006 -579 -1500 -9311 -1165 2276 -9 644 -327 -655 -436 134 -65 1176 -392 903 1513 241 1204 227 1369 986 2266 2047 1758 467 -17 763 306 -1545 -817 -2380 -1561 347 7816 -1495 -1141 400 -1900 -1352 900000 1814 900000 -9396 900000 -5297 -3257 900000 900000 2248 878 618 2230 -2688 900000 1803 -5353 1266 650 1386 1303 393 -383 99 71 1537 -2442 -774 -353 510 82 480 996 -1533 1799 1756 2648 -1722 -2103 1411 389 2339 657 1709 -373 458 819 866 3094 2735 2232 -1101 2702 -770 368 1560 2034 -2138 99 -618 2293 -1513 1651 2675 -944 1368 966 1796 1592 3021 -1371 1422 -2846 -1341 1050 529 1538 -89 1618 3589 1833 -1769 -1895 -5051 1690 -3691 1858 -2544 1611 757 849 -2435 1079 657 -79 -747 598 -675 -544 236 -2761 1689 933 1026 -639 -1755 -12152 -1494 3032 -13 1016 -541 -1077 -689 199 -93 1670 -586 1409 2446 393 1904 352 2039 1426 3136 2738 2416 706 -28 1345 561 -2965 -1624 -5036 -3408 760 16409 -3366 -2495 830 -3832 -2651 SS 20231128T040730.0Z 8732.171876 196 1 49.10 2 76.13 107.01 98.93 295.90 0.00 1 0.00 1 0 25 1.148e-01 6.436e-03 7.910e-02 2.518e-03 5.119544e-01 1.303447e-03 5.149947e-03 -6.000000e+00 6.525676e-02 228.10 -2.00 3.06 -2.00 320.45 0.00e+00 2.888215e-03 4.808701e-04 7.108258e-04 -6.000000e+00 2.862413e-03 280.44 -2.00 20.00 -2.00 319.85 0.00e+00 4.080 0.000 302.00 328.00 3 2.8364e+00 3.9541e-03 4.0926e-02 -6.0000e+00 1.6242e-01 8.8924e-03 4.9522e-03 2.4862e-02 -6.0000e+00 1.7648e-01 -1.6668e-02 4.5850e-03 1.1996e-02 -6.0000e+00 1.0495e-01 -1.9111e-03 2.3194e-03 4.9445e-03 -6.0000e+00 4.4466e-02 6.0763e-04 -7.6340e-04 7.2878e-05 4.4206e-05 -6.0000e+00 3.0688e-03 -1.5234e-03 11 9 0 11 8 0 91.26 20.17 0.27 -0.00152 -0.00726 80 17 4 8 0 613.700 14.99 20.17 24.09 22.29 22.19 26.8 883.26 15572 -11108 -44238 -44099 -64686 -1750 -29437 15766 -27601 -21815 -47314 -31604 -47427 -25311 -2402 -10801 -14188 -12138 3007 4626 2757 -2351 -7499 -9444 -2449 -11081 -3149 -3320 -4454 1739 -2051 2821 1614 818 1724 -1374 -4808 -1546 -220 -2090 -1797 -2604 -703 -2591 2172 -2152 296 791 564 1469 511 1267 1560 598 473 1776 39 805 -738 2163 1780 1955 628 1733 59 756 1005 1210 2317 -19 22 -764 -102 682 300 398 742 801 1117 -368 -343 -755 -1828 -1224 -1178 -715 -481 -251 -315 -44 672 681 1312 1674 1001 600 505 348 -431 -390 100 -476 794 249 -1101 -957 -1598 -678 -4 69 -201 -264 -338 381 365 1212 965 562 -120 -682 -714 -345 -89 -221 724 390 1059 1725 546 -41 275 -111 -95 599 -323 -599 158 -145 -514 -101 -64 28 339 91 -97 -560 -542 -889 -13 -305 121 -360 -287 -823 -523 -1108 -596 -56 -315 -475 -432 99 159 99 -89 -311 -429 -112 -580 -155 -158 -210 81 -114 174 114 62 124 -100 -398 -147 -25 -286 -274 -426 -119 -455 371 -391 53 144 105 286 110 297 397 164 137 525 12 246 -224 632 540 650 237 710 25 312 397 483 1002 -10 12 -442 -59 368 151 181 311 333 507 -196 -209 -518 -1369 -962 -983 -631 -447 -239 -300 -40 575 541 986 1263 830 564 534 412 -550 -498 120 -523 806 259 -1238 -1132 -1986 -881 -5 104 -325 -446 -565 607 549 1724 1384 842 -191 -1134 -1198 -563 -141 -338 1064 553 1437 2382 836 -69 494 -209 -184 1203 -688 -1341 357 -334 -1188 -226 -138 57 681 SS 20231128T050557.0Z 8732.212465 225 1 7.00 2 63.55 101.45 110.38 290.72 0.00 1 0.00 1 0 25 2.053e-02 8.596e-03 1.447e-02 4.409e-03 2.884714e-01 2.213146e-03 3.058867e-03 -6.000000e+00 1.167084e-02 228.10 -2.00 3.06 -2.00 317.33 0.00e+00 -3.707402e-05 3.187631e-04 5.570843e-05 -6.000000e+00 5.119560e-04 280.44 -2.00 20.00 -2.00 316.63 0.00e+00 2.233 0.000 302.00 328.00 3 4.4073e+00 5.8474e-03 2.2373e-02 -6.0000e+00 2.9047e-02 2.3907e-02 6.5764e-03 1.3038e-02 -6.0000e+00 3.1564e-02 -3.9251e-03 3.9827e-03 6.4148e-03 -6.0000e+00 1.8771e-02 -1.2425e-03 1.9766e-03 1.7975e-03 -6.0000e+00 7.9516e-03 7.2166e-04 -9.5865e-04 1.2457e-04 2.0222e-05 -6.0000e+00 5.4893e-04 -4.9316e-04 12 9 1 12 1 1 33.18 20.17 0.55 -0.00049 -0.00770 3 6 1 8 0 1745.150 15.00 20.17 27.58 22.29 22.19 27.0 900.07 9534 -5724 -1760 -6321 -3127 -62 -476 6696 2116 2473 -7749 1329 -6274 5108 -3809 -2176 171 694 -419 2389 -713 -526 -196 822 2834 -2153 1309 -4791 2465 -1586 5891 15 1667 -522 -811 3003 -2411 145 406 569 -927 -283 -1606 499 -784 -589 -2524 -2016 -885 1026 281 554 1014 -831 233 424 277 352 1310 229 2114 1805 2043 1381 -725 1221 861 1143 721 185 -41 -88 -57 188 -420 -173 126 103 1480 -1535 84 -1389 -1650 -1667 -599 -903 -1319 -748 138 -553 302 767 368 2309 1291 868 765 964 -768 -690 -670 560 934 263 -1724 -972 -92 -836 -76 -303 -6 -803 -264 145 273 1052 1123 257 50 -150 -929 106 -486 344 301 1023 1175 1846 994 -19 473 451 -407 58 -237 -905 397 -175 -16 -77 -7 -646 -349 887 -672 -203 -717 -310 -6 -47 699 256 313 -1071 174 -985 829 -763 -468 38 159 -101 578 -181 -133 -50 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