File name: Pandora159s1_Wakkerstroom_20211007_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T032706.3Z 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_20211007_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: 20211007 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 20211007T055211.1Z 7950.244573 91 1 9.38 2 59.80 79.98 69.98 86.65 0.00 1 0.00 1 0 25 1.104e-02 6.747e-03 6.352e-03 2.204e-03 2.623180e-01 1.104346e-03 2.776981e-03 -6.000000e+00 6.272189e-03 227.91 -2.00 3.06 -2.00 317.11 0.00e+00 5.691916e-04 1.492818e-04 7.200334e-05 -6.000000e+00 2.727937e-04 278.19 -2.00 20.00 -2.00 316.46 0.00e+00 1.980 0.000 302.00 328.00 3 3.6870e+00 2.9068e-03 2.0004e-02 -6.0000e+00 1.5616e-02 1.5589e-02 3.2646e-03 1.1831e-02 -6.0000e+00 1.6977e-02 -1.6433e-03 1.9487e-03 5.8159e-03 -6.0000e+00 1.0084e-02 -3.2423e-03 9.5197e-04 1.6973e-03 -6.0000e+00 4.2652e-03 1.8938e-03 -3.2649e-04 6.2467e-05 1.8841e-05 -6.0000e+00 2.9518e-04 -1.1033e-03 12 9 1 12 1 1 99.99 18.88 0.16 -0.00110 -0.00356 21 25 2 8 0 418.170 15.00 18.88 19.05 21.27 21.27 17.7 890.43 -1230 -2572 -4083 -2597 -3529 -102 1509 1423 1241 -2122 -108 2907 -595 46 618 -3121 -469 369 1562 1802 322 1118 1237 -726 1159 282 -1626 -218 289 1450 144 3371 175 -1905 1 310 -296 914 -252 -1185 -1858 -1125 -1106 -904 -656 -1435 -396 -629 -500 653 731 414 790 593 659 1444 458 718 1071 1508 1289 1408 948 717 -1024 306 320 819 1663 299 -43 -703 -473 94 -408 -81 715 528 987 -669 -546 -1153 -2029 -851 -865 -686 -409 -725 -596 -15 297 534 769 1347 1253 726 784 38 -881 -450 -317 -209 733 875 -897 -745 -591 -651 36 106 -346 -100 -84 288 384 1067 526 560 261 -702 -677 -217 -269 21 837 206 1018 1359 582 337 475 -171 -74 294 -570 -355 222 52 -617 13 -100 -355 -57 -151 -348 -569 -336 -413 -11 171 181 175 -321 -16 428 -101 9 133 -759 -116 93 407 483 89 305 344 -215 357 90 -525 -66 82 403 43 1048 60 -678 0 100 -104 364 -118 -634 -1073 -672 -676 -556 -401 -883 -238 -372 -291 378 443 266 529 415 472 1044 338 527 772 1079 946 1094 787 625 -904 252 248 620 1317 263 -41 -686 -460 89 -367 -67 544 389 753 -565 -503 -1145 -2121 -914 -973 -809 -501 -910 -746 -18 343 576 776 1330 1287 805 937 49 -1185 -600 -403 -250 840 1025 -1127 -973 -795 -903 52 158 -536 -156 -128 418 525 1394 687 754 370 -1041 -1021 -324 -395 30 1151 274 1305 1739 784 477 696 -256 -112 455 -921 -592 376 89 -1066 21 -166 -576 -92 SS 20211007T060543.6Z 7950.253977 99 1 51.49 2 56.84 78.07 67.04 85.12 0.00 1 0.00 1 0 25 1.055e-02 6.736e-03 3.091e-03 9.091e-04 2.395683e-01 4.545481e-04 2.547242e-03 -6.000000e+00 5.993163e-03 227.91 -2.00 3.06 -2.00 317.74 0.00e+00 2.068182e-04 7.078622e-05 7.156499e-05 -6.000000e+00 2.606645e-04 278.19 -2.00 20.00 -2.00 317.06 0.00e+00 1.822 0.000 302.00 328.00 3 2.8239e+00 1.2096e-03 1.8392e-02 -6.0000e+00 1.4921e-02 -2.1073e-04 1.3639e-03 1.0845e-02 -6.0000e+00 1.6222e-02 6.6878e-03 8.3242e-04 5.3454e-03 -6.0000e+00 9.6360e-03 -5.6271e-03 4.1393e-04 1.5248e-03 -6.0000e+00 4.0752e-03 5.3251e-03 -2.1092e-04 2.6546e-05 1.7369e-05 -6.0000e+00 2.8208e-04 -4.6587e-04 11 8 0 10 0 0 99.99 18.88 0.27 -0.00047 -0.00205 813 175 2 8 0 60.420 15.00 18.88 19.76 21.27 21.27 17.6 893.26 -3158 -2094 -3586 -3835 379 392 668 1283 430 -1550 -89 678 -338 -98 45 -1693 -307 -499 -2 657 -555 784 891 482 104 -196 -1179 -445 1506 2658 2085 2765 1620 -1721 -223 310 -274 516 -278 -1524 -1827 -975 -1110 -1381 -562 -940 -908 -458 -570 670 824 411 788 636 621 1176 573 655 1044 1270 1581 1402 1174 450 -941 15 370 868 1951 189 -87 -384 -492 -107 -239 614 681 1219 1396 31 -552 -1076 -2120 -875 -912 -958 -538 -526 -295 -405 530 518 1107 1800 1473 724 834 309 -739 -482 -439 -290 833 858 -934 -623 -1276 -647 2 80 -127 -235 -80 94 384 991 689 546 243 -571 -753 -178 -173 106 875 558 1118 1702 548 340 159 35 26 392 -250 -364 63 -51 -427 -201 -94 -310 11 -332 -237 -416 -414 35 38 68 147 51 -193 -11 83 -47 -16 8 -337 -63 -105 0 147 -128 176 204 117 27 -52 -314 -110 372 636 528 754 441 -493 -64 87 -77 169 -110 -711 -930 -514 -601 -754 -303 -508 -479 -234 -285 331 428 230 464 393 394 758 378 429 667 804 1030 984 896 367 -770 11 253 573 1364 153 -77 -354 -453 -94 -197 450 448 825 986 23 -461 -993 -2105 -899 -1003 -1131 -667 -672 -376 -497 597 530 1024 1599 1387 758 967 398 -1019 -651 -554 -335 903 964 -1162 -817 -1760 -925 3 126 -212 -397 -129 141 525 1262 876 726 348 -883 -1195 -278 -262 153 1195 726 1370 2075 721 481 236 53 41 626 -427 -655 117 -96 -812 -373 -168 -534 18 SS 20211007T064531.8Z 7950.281619 120 1 52.30 2 48.30 71.74 58.43 80.29 0.00 1 0.00 1 0 25 9.755e-03 7.024e-03 5.111e-04 2.450e-04 1.982009e-01 1.226950e-04 2.120739e-03 -6.000000e+00 5.541288e-03 227.91 -2.00 3.06 -2.00 316.42 0.00e+00 1.308052e-04 1.393002e-05 3.906534e-05 -6.000000e+00 2.410083e-04 278.19 -2.00 20.00 -2.00 315.79 0.00e+00 1.501 0.000 302.00 328.00 3 1.3081e+00 3.1987e-04 1.5150e-02 -6.0000e+00 1.3796e-02 5.9898e-03 3.5834e-04 8.9288e-03 -6.0000e+00 1.4999e-02 -6.9430e-04 2.0782e-04 4.3957e-03 -6.0000e+00 8.9093e-03 -2.2842e-03 9.6430e-05 1.2374e-03 -6.0000e+00 3.7681e-03 3.3882e-02 -1.9693e-04 6.9619e-06 1.4734e-05 -6.0000e+00 2.6080e-04 -8.5054e-04 11 8 0 10 0 0 99.98 18.90 0.23 -0.00085 -0.00233 1394 300 2 8 0 35.140 15.00 18.90 20.32 21.27 21.27 17.7 896.84 -1914 -1889 -3011 -3739 -1329 21 951 1096 761 -1260 -233 960 238 267 336 -1234 -30 -79 369 626 -198 1130 1421 717 596 146 -819 -14 1053 2384 1985 2385 1370 -1717 -444 484 -245 402 -79 -1398 -1575 -989 -1124 -1201 -419 -1096 -837 -435 -549 769 873 692 936 637 491 1207 450 487 785 1111 1562 1228 1037 389 -863 136 239 816 1754 186 -173 -376 -354 -169 -327 462 557 1067 1276 -275 -711 -1265 -2065 -873 -1107 -999 -638 -578 -355 -430 369 252 976 1789 1337 664 760 213 -766 -566 -349 -213 745 739 -984 -672 -645 -651 -67 -74 -204 -281 -59 119 411 1041 758 601 272 -580 -695 -199 -112 76 865 447 1145 1664 541 377 143 -5 84 381 -228 -359 -25 -68 -532 -206 -193 -391 -88 -394 -418 -615 -781 -240 4 168 218 168 -294 -53 216 59 68 97 -388 -10 -26 124 216 -70 389 495 264 231 59 -327 -5 356 848 737 858 532 -695 -165 174 -97 184 -43 -901 -1010 -656 -763 -819 -282 -738 -597 -298 -365 502 595 504 655 467 369 917 349 375 591 829 1197 1012 924 368 -814 116 186 664 1382 168 -171 -389 -365 -168 -304 382 450 806 998 -224 -651 -1277 -2229 -973 -1222 -1182 -795 -742 -455 -531 418 280 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