File name: Pandora159s1_Wakkerstroom_20231203_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240122T130536.6Z 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_20231203_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: 20231203 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 20231203T053009.2Z 8737.229273 246 1 49.32 2 58.40 100.26 62.59 314.80 0.00 1 0.00 1 0 17 3.175e-02 1.152e-02 2.206e-02 5.901e-03 2.409286e-01 2.938596e-03 2.528036e-03 -6.000000e+00 1.804276e-02 228.04 -2.00 3.06 -2.00 317.89 0.00e+00 1.711669e-03 4.834537e-04 1.506282e-04 -6.000000e+00 7.924438e-04 280.67 -2.00 20.00 -2.00 317.17 0.00e+00 1.901 0.000 302.00 328.00 3 5.8295e+00 7.8528e-03 1.8945e-02 -6.0000e+00 4.4896e-02 1.1176e-02 8.8796e-03 1.1177e-02 -6.0000e+00 4.8792e-02 1.7710e-02 5.4700e-03 5.3695e-03 -6.0000e+00 2.9021e-02 -6.3094e-03 2.7458e-03 2.0910e-03 -6.0000e+00 1.2293e-02 2.4318e-04 -2.3177e-04 1.7182e-04 2.0323e-05 -6.0000e+00 8.4914e-04 1.7847e-03 12 9 8 11 8 0 99.92 19.87 0.65 0.00178 0.00004 55 12 1 8 0 896.620 14.99 19.87 20.32 22.09 21.88 26.4 862.94 -681 -7888 10538 -17181 9231 -925 16120 -19 4313 -8097 5386 4168 1640 3571 993 2186 -1047 6600 -1106 2526 -3542 4554 153 955 -2661 549 2005 -3268 5870 -2521 1896 2338 5244 -5485 1116 -2753 1805 -4052 1948 -2063 -3418 959 -2071 -925 -3766 748 -1725 590 -3122 2499 257 2321 12 218 1010 1264 1332 -1900 2048 261 1527 543 2341 -761 -149 111 1078 1326 1232 906 -708 25 -453 1116 -912 1661 117 874 268 763 -368 -1262 -1956 -1011 -650 -580 22 -2010 695 -225 1285 431 779 1598 2044 736 903 265 -1404 -214 -451 -28 599 1159 -1348 -518 -621 -594 -58 -123 101 -562 -346 8 883 129 1368 388 457 -873 -1221 -137 248 51 1493 272 689 1646 -460 1162 -734 -437 -428 297 -897 -688 -219 3702 -416 -681 151 -1646 231 -65 -883 1004 -1990 747 -79 1230 -2 455 -993 573 462 209 514 167 396 -204 1235 -232 530 -802 944 34 218 -663 137 488 -789 1224 -564 432 574 1344 -1590 285 -714 487 -1355 732 -924 -1686 473 -1081 -482 -2018 384 -891 292 -1563 1193 132 1252 7 132 623 793 847 -1239 1264 163 982 378 1732 -616 -119 81 727 868 861 716 -621 23 -410 961 -748 1202 77 548 178 564 -307 -1165 -1932 -1036 -706 -673 27 -2562 865 -273 1432 441 727 1439 1938 778 1052 340 -1933 -288 -569 -33 659 1314 -1696 -683 -852 -850 -86 -194 167 -945 -559 12 1209 167 1758 524 660 -1358 -1953 -215 377 75 2061 363 870 2063 -625 1660 -1120 -677 -672 481 -1553 -1243 -404 6741 -790 -1268 269 -2889 391 SS 20231203T053528.1Z 8737.232964 249 1 49.83 2 57.23 99.78 63.41 313.77 0.00 1 0.00 1 0 25 1.623e-02 8.658e-03 9.875e-03 3.093e-03 2.334005e-01 1.541492e-03 2.492581e-03 -6.000000e+00 9.219777e-03 228.04 -2.00 3.06 -2.00 317.53 0.00e+00 1.349747e-03 2.311210e-04 1.157123e-04 -6.000000e+00 4.049280e-04 280.67 -2.00 20.00 -2.00 316.82 0.00e+00 1.842 0.000 302.00 328.00 3 5.3911e+00 4.0904e-03 1.8378e-02 -6.0000e+00 2.2942e-02 1.9058e-02 4.6099e-03 1.0792e-02 -6.0000e+00 2.4932e-02 8.4011e-03 2.7802e-03 5.2344e-03 -6.0000e+00 1.4829e-02 -6.9214e-03 1.3736e-03 1.8445e-03 -6.0000e+00 6.2822e-03 4.0241e-04 -1.3704e-04 8.9383e-05 1.9009e-05 -6.0000e+00 4.3388e-04 1.3906e-03 11 8 0 10 0 0 99.98 19.87 0.71 0.00139 0.00036 23 5 1 8 0 2165.830 15.00 19.87 20.58 22.09 21.88 26.5 864.91 -5253 -2960 -1430 -4081 -9027 -1664 3447 4700 4190 548 -2204 1342 639 7 341 -1560 -650 -2807 -324 -356 2076 1363 1818 -202 1353 -1619 -992 643 -504 3962 887 3418 1097 -1949 -1449 -260 -2099 586 316 -2214 -1360 -1833 -457 -1444 104 -1171 -227 368 -41 1372 1104 378 1124 238 1039 1130 -45 625 797 2341 1436 1944 824 980 -1377 -473 -217 440 1730 439 607 -96 1 -49 -330 177 995 93 515 -624 -559 -1164 -2121 -943 -1747 -679 -518 -49 -535 -225 601 698 967 2234 1617 342 956 338 -660 -523 -82 -369 541 452 -968 -593 -3274 -681 69 592 250 -181 -291 43 -63 970 855 725 123 -370 -810 300 -367 -199 1448 440 1702 1671 1174 183 644 56 274 62 -242 -438 119 -630 -514 57 -327 -276 -96 -617 -369 -178 -486 -1004 -166 345 522 516 72 -292 177 95 1 66 -335 -143 -655 -77 -87 506 330 448 -53 367 -466 -280 169 -126 937 228 924 325 -604 -420 -73 -652 207 133 -1091 -721 -1013 -257 -827 58 -666 -126 197 -22 716 604 223 690 154 685 758 -31 424 533 1535 982 1415 655 818 -1164 -368 -156 306 1265 364 545 -90 1 -45 -280 135 690 62 356 -486 -485 -1109 -2144 -985 -1945 -798 -639 -62 -678 -275 685 730 927 2059 1575 368 1120 435 -896 -702 -104 -432 603 521 -1216 -780 -4591 -965 101 913 405 -296 -460 64 -86 1250 1100 971 176 -562 -1267 460 -551 -290 1988 584 2134 2098 1571 263 956 85 421 99 -404 -765 211 -1151 -940 102 -572 -466 -159 SS 20231203T055543.8Z 8737.247035 256 1 2.82 2 52.79 97.94 66.63 310.06 0.00 1 0.00 1 0 17 9.699e-03 7.429e-03 1.854e-03 1.090e-03 2.121210e-01 5.510482e-04 2.281335e-03 -6.000000e+00 5.510551e-03 228.04 -2.00 3.06 -2.00 315.62 0.00e+00 1.311748e-03 5.362216e-05 1.352103e-04 -6.000000e+00 2.420312e-04 280.67 -2.00 20.00 -2.00 315.00 0.00e+00 1.650 0.000 302.00 328.00 3 1.7987e+00 1.4215e-03 1.6502e-02 -6.0000e+00 1.3712e-02 6.1521e-03 1.5863e-03 9.7356e-03 -6.0000e+00 1.4902e-02 -3.3143e-03 9.0938e-04 4.7103e-03 -6.0000e+00 8.8637e-03 -9.0962e-04 4.1156e-04 1.6821e-03 -6.0000e+00 3.7544e-03 1.7886e-02 -3.6622e-04 3.0344e-05 1.8378e-05 -6.0000e+00 2.5936e-04 2.2438e-03 12 9 1 12 1 1 99.87 19.87 0.26 0.00224 -0.00051 32 125 2 8 0 85.300 14.99 19.87 22.52 22.09 21.98 26.7 875.26 -2256 -2042 -2951 -2643 -1053 -39 46 1668 579 -702 -651 1411 95 156 455 -1206 519 -394 755 451 58 1026 1846 389 490 -117 -760 -12 799 2564 1574 3045 1180 -1615 -380 619 -495 628 -237 -1212 -1463 -857 -1312 -1042 -515 -1266 -876 -605 -550 804 994 568 877 615 614 1094 300 497 755 1168 1401 1095 667 225 -1160 186 -28 966 1692 -34 -142 -592 -242 -277 -273 275 503 832 1241 -638 -793 -1340 -2120 -1028 -1025 -951 -831 -519 -383 -207 270 431 1034 1796 1294 717 820 177 -674 -614 -133 -92 973 672 -1011 -710 -611 -620 103 -75 -281 -204 -206 89 551 1112 642 658 47 -597 -840 -257 -244 94 870 516 1323 1616 517 282 16 -36 164 293 -227 -332 -15 -96 -642 -88 -260 -424 -19 -605 -545 -800 -716 -249 -9 11 429 166 -194 -191 412 29 54 165 -482 210 -166 325 201 26 455 821 183 226 -56 -360 -6 349 1074 698 1432 566 -807 -187 295 -241 355 -152 -848 -1051 -637 -1004 -801 -393 -969 -652 -435 -406 585 714 437 709 494 504 910 255 418 621 954 1180 994 626 213 -1099 167 -25 804 1491 -33 -142 -620 -252 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