File name: Pandora159s1_Wakkerstroom_20240509_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240511T160717.5Z 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_20240509_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: 20240509 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 20240509T050919.4Z 8895.214808 46 1 49.55 2 82.61 65.90 98.48 66.07 0.00 1 0.00 1 0 25 6.206e-01 1.075e-02 3.788e-01 7.390e-03 7.361777e-01 4.073585e-03 7.068810e-03 -6.000000e+00 3.505538e-01 225.16 -2.00 3.06 -2.00 321.90 0.00e+00 1.218812e-02 2.318375e-03 5.648141e-03 -6.000000e+00 1.595429e-02 279.10 -2.00 20.00 -2.00 321.42 0.00e+00 7.209 0.002 302.00 328.00 3 1.5037e+00 1.5269e-02 8.0022e-02 -6.0000e+00 8.6877e-01 1.3201e-01 2.3391e-02 6.9886e-02 -6.0000e+00 9.4761e-01 -2.1381e-01 2.6016e-02 2.0546e-02 -6.0000e+00 5.6181e-01 8.3022e-02 1.1838e-02 1.4371e-02 -6.0000e+00 2.3833e-01 1.6602e-04 -1.5551e-03 2.0886e-04 9.8185e-05 -6.0000e+00 1.6920e-02 1.1485e-02 12 8 8 10 0 0 40.21 18.80 0.36 0.01148 -0.00020 81 17 4 8 0 611.550 14.99 18.80 11.99 21.06 21.06 25.9 812.52 -219388 -121759 -273752 -224786 -251239 -34969 -244652 900000 -221298 -48761 -181514 900000 -131767 900000 39600 -39647 -78841 -118336 -61999 13083 -63936 -55425 -9896 -57150 146988 -57193 -37141 -8055 18618 -55325 -12728 70948 4140 131463 -21414 33052 -5077 12175 -23084 45602 8111 9951 2512 3190 12050 6593 32892 20066 7769 3161 15169 -3798 14263 8127 8046 3097 6054 9980 -1909 14591 -6901 12585 2533 7484 -1639 9579 2683 4626 4438 4061 2008 605 2315 1816 -218 -1732 653 198 6568 -4112 1745 -2880 -4572 -744 -1858 -2121 -566 -15 149 1306 1225 1245 1430 2481 79 794 644 -122 -399 -315 1535 -1031 343 -1040 -1066 -1725 -1355 -735 382 -1008 -1250 -596 -106 239 -245 882 1402 808 -536 -768 -786 304 672 -19 850 288 1591 1679 428 -122 92 613 452 332 -15 -676 23 -274 -483 47 125 -100 -95 -1580 -877 -4108 -2208 -2715 -252 -2724 900000 -2319 -351 -1426 900000 -1035 900000 285 -286 -981 -2273 -812 94 -921 -726 -84 -823 1059 -899 -486 -79 146 -1051 -200 604 81 947 -561 498 -123 295 -967 1135 329 430 115 151 592 328 1443 1064 457 212 1020 -349 1207 795 831 348 672 1054 -221 1428 -882 1496 388 1249 -320 1656 496 878 946 1004 557 176 650 480 -53 -386 135 43 1546 -1306 619 -1229 -2179 -362 -976 -1189 -329 -9 88 734 644 615 686 1241 47 546 522 -115 -414 -327 1458 -893 266 -825 -910 -1569 -1301 -757 433 -1319 -1836 -927 -165 361 -352 1212 1942 1184 -847 -1258 -1263 462 979 -26 1157 380 2014 2249 667 -220 183 1296 1012 795 -38 -1842 58 -710 -1250 125 311 -233 -215 SS 20240509T051539.0Z 8895.219202 49 1 49.23 2 81.33 65.09 97.26 65.43 0.00 1 0.00 1 0 25 4.106e-01 6.759e-03 2.790e-01 3.454e-03 6.627142e-01 1.847218e-03 6.448731e-03 -6.000000e+00 2.305758e-01 225.16 -2.00 3.06 -2.00 321.50 0.00e+00 1.016773e-02 9.461920e-04 3.659887e-03 -6.000000e+00 1.017372e-02 279.10 -2.00 20.00 -2.00 321.00 0.00e+00 6.274 0.001 302.00 328.00 3 1.1726e+00 6.4287e-03 6.5615e-02 -6.0000e+00 5.7023e-01 4.7249e-02 9.3411e-03 5.0231e-02 -6.0000e+00 6.2144e-01 -6.6976e-02 1.0278e-02 1.6910e-02 -6.0000e+00 3.7013e-01 1.8130e-02 4.8294e-03 1.3698e-02 -6.0000e+00 1.5729e-01 5.0770e-04 -1.2875e-03 9.7612e-05 8.8603e-05 -6.0000e+00 1.0976e-02 1.0785e-02 11 8 0 10 0 0 48.11 18.80 0.36 0.01078 0.00111 159 34 4 8 0 309.520 15.00 18.80 12.75 21.17 21.06 26.1 816.31 -102830 -87096 -186652 232791 -137824 -48037 -178432 -17185 -171725 -19644 -123742 39154 -74754 -37694 -15345 48649 -18618 10487 -1090 -34458 66245 -43475 14650 -51888 4671 6006 -9668 -17320 -3700 -4707 -5805 -5098 -18956 -7393 -7984 1141 -7242 -4820 -5736 8582 376 -4325 -1178 2801 3502 -3084 2942 -4638 1208 2760 5071 -336 8271 1852 343 1356 -968 3069 -2868 169 -1476 2180 556 3933 -1008 3164 -271 2602 1405 507 1125 1956 68 -3 1623 192 -247 -1124 385 -751 110 -1575 -1471 -937 -1291 -624 -1032 -478 -268 794 664 1512 1513 1202 473 793 501 276 -112 -84 23 -324 1698 -136 -1663 -1096 -184 -1020 110 -543 -639 -280 -322 469 632 1293 733 412 -350 -986 -862 -177 61 -396 519 289 1405 1284 571 164 279 70 315 212 -303 -488 -51 25 -499 -188 124 127 261 -346 -303 -1859 784 -786 -162 -1570 -58 -1732 -66 -879 132 -517 -247 -105 219 -186 89 -11 -525 391 -742 147 -1051 58 78 -148 -284 -55 -80 -123 -131 -645 -241 -252 33 -250 -192 -280 429 23 -295 -83 198 254 -248 234 -416 108 263 526 -41 1022 265 52 212 -158 479 -464 27 -247 396 118 912 -258 767 -67 650 394 164 399 714 25 -1 505 55 -67 -316 122 -285 49 -803 -815 -547 -807 -411 -718 -340 -191 538 422 897 864 718 320 622 456 286 -127 -95 25 -310 1465 -121 -1609 -1116 -195 -1170 136 -757 -983 -451 -519 725 927 1820 1049 621 -562 -1647 -1419 -280 93 -590 742 402 1866 1795 904 292 542 144 674 478 -733 -1234 -132 66 -1299 -475 295 287 572 SS 20240509T053026.2Z 8895.229470 54 1 49.87 2 78.38 63.13 94.43 63.88 0.00 1 0.00 1 0 25 1.110e-01 6.367e-03 4.030e-02 1.157e-03 5.228374e-01 5.967781e-04 5.345835e-03 -6.000000e+00 6.234507e-02 225.16 -2.00 3.06 -2.00 320.61 0.00e+00 7.514781e-03 2.333073e-04 2.174459e-03 -6.000000e+00 2.750863e-03 279.10 -2.00 20.00 -2.00 320.04 0.00e+00 4.809 0.001 302.00 328.00 3 7.8072e-01 1.8334e-03 4.8318e-02 -6.0000e+00 1.5418e-01 9.5124e-03 2.3406e-03 3.3241e-02 -6.0000e+00 1.6803e-01 -1.5792e-02 2.2833e-03 1.2638e-02 -6.0000e+00 1.0008e-01 -9.8117e-04 1.1455e-03 9.9624e-03 -6.0000e+00 4.2529e-02 2.6905e-03 -1.1303e-03 3.3269e-05 5.7884e-05 -6.0000e+00 2.9679e-03 1.0826e-02 10 0 0 10 0 0 44.45 18.80 0.29 0.01083 0.00233 416 89 2 8 0 118.420 15.00 18.80 14.94 21.17 20.96 26.4 827.36 -43856 -17263 -42363 -29319 -55578 -4157 -53644 -17169 -37838 -13833 -40653 -29787 -27405 -11169 -6873 -8105 554 -3798 5050 -9040 -1839 -6488 502 -6195 -2834 -7794 -4068 -2722 -2213 3015 -830 3578 -2448 1945 -3858 1707 -3174 -10 -2496 -2365 -2751 -2090 -783 -1886 1061 -1167 540 -518 1434 707 1308 812 1590 750 728 850 -199 317 -691 866 865 1337 1126 843 -480 709 1060 1487 2033 340 136 -523 113 -138 111 242 -197 435 832 -598 -530 -1176 -2068 -790 -1085 -872 -670 -47 -24 438 1011 1088 1453 1829 1398 561 910 227 -457 -363 38 50 1101 458 -1440 -851 -754 -596 -189 -215 -420 -400 -18 357 410 1269 635 343 -359 -1115 -937 -290 -347 -248 608 336 1489 1627 475 324 301 197 265 404 -422 -456 47 -82 -604 -38 -35 2 303 -371 -130 -440 -258 -583 -25 -569 -141 -423 -128 -509 -380 -433 -194 -143 -185 14 -102 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