File name: Pandora159s1_Wakkerstroom_20220129_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T035255.5Z 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 v1.8.75 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20220129_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: 20220129 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 20220129T044637.0Z 8064.199039 155 1 3.11 2 74.53 102.51 33.42 95.92 0.00 1 0.00 1 0 17 1.186e-01 1.064e-02 1.531e-01 1.045e-02 4.364591e-01 5.259332e-03 4.448990e-03 -6.000000e+00 6.740091e-02 227.66 -2.00 3.06 -2.00 319.05 0.00e+00 1.474934e-04 1.288577e-03 2.048921e-04 -6.000000e+00 2.986915e-03 282.65 -2.00 20.00 -2.00 318.34 0.00e+00 3.682 0.000 302.00 328.00 3 3.4933e+00 1.4573e-02 3.5764e-02 -6.0000e+00 1.6745e-01 3.6192e-02 1.6947e-02 1.9727e-02 -6.0000e+00 1.8189e-01 8.9043e-03 1.2837e-02 9.7463e-03 -6.0000e+00 1.0835e-01 -1.4600e-02 6.8104e-03 2.7587e-03 -6.0000e+00 4.6083e-02 4.6440e-04 -5.4583e-04 2.9172e-04 2.8542e-05 -6.0000e+00 3.1714e-03 -6.9135e-03 12 9 9 12 1 1 999.00 19.42 0.31 -0.00691 -0.01102 1 7 1 8 0 1464.570 15.00 19.42 20.69 21.69 21.69 20.0 891.82 -20493 71782 -29916 23513 57474 21364 -15466 -27316 4904 -36983 34332 4960 42204 -13338 9479 -10355 13626 -11908 -4757 11207 10840 25721 3828 1112 1256 18161 -6880 4344 -4997 -1680 -4302 9054 10402 -6794 -12592 -5316 15030 -2084 -3689 -5459 -684 -449 -202 -5308 2746 3993 -264 1848 -541 2441 -4706 -1120 468 2530 1220 -487 -2539 2571 2808 -97 384 2755 2161 -2188 621 2614 2523 1106 1680 -525 -2305 688 -759 173 -1150 1167 -27 304 209 2499 -160 -1520 -1915 -964 -1234 604 -1063 -773 -435 -283 820 -141 1937 2057 702 -666 189 -1240 569 -1033 1244 -1991 -198 1555 235 14 -309 -934 107 1149 -211 288 -253 201 -420 1276 784 593 363 -924 -1107 671 404 -13 -114 -593 -260 220 -128 32 -797 1023 -896 3 71 221 1071 -22 -541 -431 729 -366 -207 -537 889 -1021 465 753 386 -427 -972 145 -1747 844 173 1214 -781 531 -797 910 -1079 -429 913 911 1883 357 115 140 1821 -877 479 -579 -193 -560 1178 1486 -1191 -2233 -868 2220 -423 -909 -1591 -210 -145 -68 -1891 914 1329 -91 629 -190 863 -1890 -473 208 1174 594 -248 -1346 1306 1393 -49 198 1487 1276 -1436 407 1622 1500 666 1074 -380 -1822 550 -612 133 -848 777 -17 186 136 1782 -130 -1353 -1811 -944 -1266 643 -1191 -882 -496 -315 860 -140 1806 1908 697 -728 223 -1604 764 -1398 1589 -2432 -227 1791 288 18 -410 -1288 153 1727 -337 469 -408 313 -624 1810 1113 866 554 -1476 -1780 1053 621 -19 -167 -848 -358 307 -190 51 -1320 1717 -1552 6 130 421 2066 -43 -1068 -836 1364 -669 -371 SS 20220129T050233.4Z 8064.210109 159 1 49.95 2 71.06 100.90 29.99 94.71 0.00 1 0.00 1 0 25 3.503e-02 7.385e-03 2.570e-02 2.908e-03 3.556183e-01 1.459353e-03 3.687794e-03 -6.000000e+00 1.989848e-02 227.66 -2.00 3.06 -2.00 319.13 0.00e+00 3.667662e-04 3.530940e-04 1.109350e-04 -6.000000e+00 8.818861e-04 282.65 -2.00 20.00 -2.00 318.41 0.00e+00 3.046 0.000 302.00 328.00 3 4.2172e+00 4.0534e-03 2.9498e-02 -6.0000e+00 4.9437e-02 1.2814e-02 4.6998e-03 1.6170e-02 -6.0000e+00 5.3701e-02 1.1509e-02 3.4022e-03 7.9852e-03 -6.0000e+00 3.1990e-02 -9.4250e-03 1.7872e-03 2.2850e-03 -6.0000e+00 1.3604e-02 4.1787e-04 -5.1426e-04 8.4786e-05 2.4948e-05 -6.0000e+00 9.3640e-04 -6.1540e-03 11 9 0 11 8 0 97.44 19.41 0.24 -0.00615 -0.01002 25 5 1 8 0 1997.800 14.99 19.41 21.72 21.69 21.69 19.9 895.87 -9465 8856 -3180 -3347 -8753 8025 964 -6680 -11709 -8876 -4550 -23722 -6910 -8071 -720 -8278 -3030 -448 -3122 991 -1920 8688 -1949 3569 425 3903 -3366 4410 -1503 3599 810 4618 -3546 -3274 -2470 -1152 -1828 178 1521 -582 -779 -2281 -627 -443 -559 -773 -838 750 -673 921 -10 540 1597 1241 798 804 -328 401 -234 797 2298 1371 1280 260 221 1300 671 -343 1789 -165 70 9 216 -116 -210 206 514 1995 681 549 -901 -1076 -2285 -752 -499 -430 -552 -691 201 -310 522 240 912 1644 1278 426 1126 205 -543 -878 -335 -50 785 850 -1287 -962 -2693 -608 -132 565 -119 28 -397 51 105 1011 604 524 543 -787 -600 155 97 -226 1151 452 1213 1669 709 33 118 98 -211 204 -352 -270 148 63 -353 -122 -229 -324 6 -325 286 -119 -120 -299 226 31 -264 -548 -428 -212 -1398 -399 -557 -54 -752 -280 -42 -321 103 -210 856 -220 408 53 497 -461 533 -183 421 106 647 -593 -567 -402 -182 -317 36 363 -165 -245 -766 -214 -154 -195 -271 -292 256 -232 319 -4 217 679 562 377 391 -164 200 -115 385 1125 729 747 165 142 778 380 -194 1066 -113 52 7 167 -87 -147 130 296 1100 402 367 -686 -909 -2080 -709 -497 -456 -617 -794 230 -345 540 230 812 1432 1185 441 1281 259 -734 -1182 -425 -58 858 953 -1576 -1239 -3658 -846 -193 874 -196 47 -656 79 154 1394 833 751 825 -1269 -983 248 152 -344 1660 632 1614 2225 1019 51 192 165 -363 365 -662 -531 295 128 -725 -245 -446 -608 12 SS 20220129T051027.6Z 8064.215597 163 1 50.78 2 69.34 100.10 28.29 94.10 0.00 1 0.00 1 0 25 1.490e-02 6.640e-03 3.287e-03 5.336e-04 3.327110e-01 2.664590e-04 3.479409e-03 -6.000000e+00 8.462591e-03 227.66 -2.00 3.06 -2.00 318.50 0.00e+00 3.320549e-04 5.358273e-05 1.223066e-04 -6.000000e+00 3.750493e-04 282.65 -2.00 20.00 -2.00 317.76 0.00e+00 2.807 0.000 302.00 328.00 3 1.5936e+00 7.2417e-04 2.7302e-02 -6.0000e+00 2.1025e-02 9.8554e-03 8.2722e-04 1.5097e-02 -6.0000e+00 2.2838e-02 -7.0896e-04 5.5555e-04 7.4206e-03 -6.0000e+00 1.3605e-02 -4.3442e-03 2.9021e-04 2.1112e-03 -6.0000e+00 5.7857e-03 7.2263e-03 -5.2294e-04 1.5341e-05 2.3190e-05 -6.0000e+00 3.9823e-04 -6.3210e-03 11 9 0 11 8 0 98.24 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