File name: Pandora159s1_Wakkerstroom_20211202_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T033953.0Z 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_20211202_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: 20211202 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 20211202T034627.4Z 8006.157261 83 1 19.75 2 80.59 109.96 58.48 88.21 0.00 1 0.00 1 0 25 3.904e-01 8.732e-03 2.498e-01 4.682e-03 6.656304e-01 2.520171e-03 6.525890e-03 -6.000000e+00 2.220732e-01 228.05 -2.00 3.06 -2.00 321.24 0.00e+00 8.658714e-03 1.207081e-03 2.273373e-03 -6.000000e+00 1.052029e-02 280.62 -2.00 20.00 -2.00 320.71 0.00e+00 5.834 0.001 302.00 328.00 3 1.8123e+00 8.4757e-03 5.9479e-02 -6.0000e+00 5.5354e-01 8.1090e-02 1.1848e-02 4.0997e-02 -6.0000e+00 6.0177e-01 -1.0823e-01 1.2498e-02 1.7002e-02 -6.0000e+00 3.5706e-01 3.7133e-02 5.9608e-03 1.2204e-02 -6.0000e+00 1.5198e-01 3.6459e-04 -1.3277e-03 1.3059e-04 8.4593e-05 -6.0000e+00 1.0456e-02 -9.7030e-04 12 9 1 12 1 1 45.15 19.26 0.30 -0.00097 -0.01095 35 20 4 8 0 538.300 15.00 19.26 21.67 21.58 21.48 18.8 900.88 -30178 -110475 -158245 -73696 -194605 55555 -95176 -79342 -139437 900000 -170434 900000 -92807 -90612 -61499 -38420 20285 -17512 -38045 -51985 31150 -62250 900000 -31623 118006 -60599 21085 -19971 22938 -1701 -3183 24940 -5830 528 -12942 4085 -18999 20037 -9883 -608 -6271 -1115 1423 -849 8523 -3524 10795 -5835 9248 -2766 12286 2927 8068 608 4538 1491 1660 120 865 2106 -2182 5326 1288 2490 -1223 3827 2639 4677 2261 2024 882 -478 221 482 302 -3206 3395 -187 1651 -1817 590 -977 -974 -934 -2226 -626 -1907 104 -96 1023 403 2103 127 1945 377 227 410 -99 -179 -605 298 -1077 1405 -651 -1319 -1564 29 -1122 35 -408 -258 95 -35 249 9 1732 381 637 -725 -816 -1173 223 -34 431 712 2 1487 1378 347 -295 588 -54 292 150 2 -403 103 20 -604 -1 -255 57 106 -138 -655 -1630 -336 -2604 254 -502 -399 -1384 900000 -2550 900000 -997 -1272 -840 -511 177 -245 -712 -1179 329 -1604 900000 -670 630 -1870 304 -424 330 -34 -79 580 -210 19 -521 138 -878 751 -597 -40 -485 -89 117 -74 700 -337 933 -619 897 -321 1379 403 1153 102 771 269 306 23 157 374 -422 1065 304 659 -354 1043 715 1281 699 719 350 -199 91 186 107 -1066 996 -58 567 -763 281 -536 -583 -592 -1514 -444 -1444 79 -73 751 280 1348 80 1242 272 188 389 -107 -210 -716 328 -1099 1290 -608 -1325 -1659 32 -1320 45 -573 -398 154 -56 392 14 2474 554 964 -1166 -1361 -1946 354 -53 645 1028 3 2012 1928 544 -515 1107 -106 601 325 4 -967 249 50 -1489 -3 -584 124 223 SS 20211202T053830.5Z 8006.235076 139 1 48.87 2 56.55 99.41 34.38 72.17 0.00 1 0.00 1 0 17 1.338e-02 7.017e-03 8.217e-03 2.906e-03 2.224527e-01 1.452594e-03 2.364456e-03 -6.000000e+00 7.609720e-03 228.05 -2.00 3.06 -2.00 317.26 0.00e+00 6.725556e-04 2.025102e-04 4.384367e-05 -6.000000e+00 3.340647e-04 280.62 -2.00 20.00 -2.00 316.55 0.00e+00 1.808 0.000 302.00 328.00 3 5.3362e+00 3.8338e-03 1.7812e-02 -6.0000e+00 1.8936e-02 3.3564e-02 4.3125e-03 1.0072e-02 -6.0000e+00 2.0574e-02 -1.2389e-03 2.5641e-03 4.9504e-03 -6.0000e+00 1.2237e-02 -4.4036e-03 1.2470e-03 1.4670e-03 -6.0000e+00 5.1874e-03 4.4629e-04 -3.6725e-04 8.3795e-05 1.6318e-05 -6.0000e+00 3.5782e-04 -3.0120e-03 11 9 0 11 8 0 99.89 19.26 0.25 -0.00301 -0.00577 26 6 1 8 0 1879.260 15.00 19.26 26.36 21.58 21.48 19.0 924.14 2420 -3362 -3475 -5122 2569 -4223 2120 -3697 -1640 -1370 221 1777 637 38 -1634 -629 -188 556 572 3029 -1871 2793 -1363 753 699 -185 -370 -2224 2322 2152 2285 975 2136 -3784 -710 2387 -318 -277 427 -767 -1620 -319 -1488 -401 -993 -650 -1116 -753 -820 1398 228 139 1407 1061 -99 1460 947 822 316 359 1778 1091 1045 998 -455 305 104 918 1739 1090 -78 -365 -69 -155 -351 490 -226 -36 878 -641 -346 -1278 -1782 -1046 -860 -1104 -503 -838 -455 -495 451 384 1040 1819 1578 740 481 325 -951 -82 -596 131 147 534 -1445 -775 337 -879 6 245 46 -474 -83 -197 504 762 1136 460 110 -464 -649 218 124 297 582 605 771 1648 152 158 -157 187 101 175 -63 -571 342 -183 -263 -455 6 -434 35 308 -492 -514 -719 298 -499 248 -515 -247 -213 33 269 108 7 -363 -150 -46 140 149 794 -523 740 -382 216 212 -58 -115 -666 624 567 630 292 677 -1292 -221 700 -104 -105 191 -397 -915 -185 -897 -241 -597 -390 -657 -430 -458 762 132 85 896 709 -68 1016 673 581 221 249 1254 828 851 856 -393 243 77 653 1299 915 -72 -349 -66 -143 -306 386 -163 -25 615 -504 -301 -1224 -1814 -1100 -956 -1315 -624 -1071 -581 -612 518 406 1006 1694 1542 791 563 417 -1291 -109 -756 153 164 614 -1816 -1020 456 -1249 9 376 75 -771 -130 -291 684 978 1441 611 156 -700 -1003 333 185 427 798 797 967 2050 202 224 -230 278 153 272 -103 -982 597 -325 -473 -806 10 -723 58 SS 20211202T054351.9Z 8006.238795 141 1 51.25 2 55.37 98.92 33.27 71.06 0.00 1 0.00 1 0 17 9.865e-03 7.110e-03 5.996e-04 2.668e-04 2.117093e-01 1.335715e-04 2.267985e-03 -6.000000e+00 5.608533e-03 228.05 -2.00 3.06 -2.00 316.61 0.00e+00 3.339580e-04 1.597632e-05 5.773843e-05 -6.000000e+00 2.462309e-04 280.62 -2.00 20.00 -2.00 315.91 0.00e+00 1.755 0.000 302.00 328.00 3 1.3993e+00 3.4898e-04 1.7178e-02 -6.0000e+00 1.3957e-02 -5.1241e-03 3.9117e-04 9.5966e-03 -6.0000e+00 1.5165e-02 -7.6601e-04 2.2819e-04 4.7055e-03 -6.0000e+00 9.0197e-03 -2.1155e-03 1.0764e-04 1.3442e-03 -6.0000e+00 3.8228e-03 2.4813e-02 -3.3961e-04 7.5826e-06 1.5745e-05 -6.0000e+00 2.6377e-04 -2.0323e-03 11 8 0 10 0 0 97.13 19.26 0.25 -0.00203 -0.00458 788 169 2 8 0 61.880 15.00 19.26 26.74 21.58 21.48 19.1 927.26 -1907 -2095 -2984 -3865 -1065 -395 786 1013 472 -1394 -433 1050 147 317 225 -1203 -50 40 154 641 -214 991 1433 731 625 156 -797 43 1146 2492 1988 2355 1485 -1710 -447 501 -311 436 -63 -1383 -1620 -1015 -1174 -1168 -463 -1090 -875 -432 -617 711 835 612 953 575 488 1147 470 381 782 1028 1552 1208 995 438 -915 157 267 860 1791 199 -170 -393 -395 -158 -372 431 592 1026 1351 -213 -709 -1238 -2110 -882 -1103 -992 -643 -594 -344 -411 358 300 996 1863 1380 647 746 216 -796 -593 -364 -231 798 773 -1001 -721 -691 -710 -79 -67 -245 -293 -60 97 394 1079 776 606 230 -577 -724 -199 -152 21 873 469 1183 1711 559 323 150 -20 106 394 -230 -352 -58 -65 -542 -242 -197 -382 -48 -320 -381 -551 -734 -174 -61 127 183 95 -297 -90 217 34 75 60 -355 -15 12 49 210 -72 325 475 256 231 60 -304 15 373 778 651 826 564 -680 -164 177 -121 197 -34 -806 -1029 -668 -792 -793 -311 -733 -573 -272 -378 430 527 414 677 429 374 889 373 300 602 785 1217 1019 841 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