File name: Pandora159s1_Wakkerstroom_20211005_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T032748.2Z 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_20211005_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: 20211005 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 20211005T054453.9Z 7948.239513 78 1 49.67 2 61.89 80.28 57.60 61.39 0.00 1 0.00 1 0 17 5.107e-02 1.213e-02 4.084e-02 8.686e-03 2.804566e-01 4.333802e-03 2.953706e-03 -6.000000e+00 2.899484e-02 227.87 -2.00 3.06 -2.00 318.37 0.00e+00 9.683826e-04 8.016755e-04 1.864352e-04 -6.000000e+00 1.261034e-03 278.12 -2.00 20.00 -2.00 317.69 0.00e+00 2.112 0.000 302.00 328.00 3 5.6004e+00 1.1689e-02 2.1413e-02 -6.0000e+00 7.2182e-02 3.1679e-02 1.3283e-02 1.2845e-02 -6.0000e+00 7.8491e-02 9.5123e-03 8.5383e-03 6.2685e-03 -6.0000e+00 4.6623e-02 -6.7450e-03 4.3599e-03 1.9883e-03 -6.0000e+00 1.9709e-02 2.4032e-04 -2.5680e-04 2.5433e-04 2.1063e-05 -6.0000e+00 1.3655e-03 2.3465e-03 12 9 8 11 8 0 99.98 18.50 0.64 0.00235 0.00042 173 37 2 8 0 285.440 15.00 18.50 17.95 20.96 20.96 17.4 883.84 -17210 -108 -5991 25407 -18833 23949 -13307 6322 -620 -8642 2315 6723 -6612 -15219 2206 -8763 10141 -1110 8322 -3070 5621 7782 725 1249 -6884 5104 -2645 3300 -2951 16334 -1271 6697 -1337 2502 -1200 961 3042 -575 1497 -3756 710 -4659 939 -793 2199 -3140 696 -1554 147 -331 -1834 2137 -394 5121 -2860 2481 -1215 2512 -399 3041 570 2664 -843 -351 -1194 -730 1056 -913 2705 -1353 1553 -123 710 -766 -126 -787 -567 1355 275 2108 -1853 852 -2882 1306 -2010 362 -1034 641 515 -327 387 -715 1304 1253 2808 -153 1277 269 294 -1560 173 -1509 951 658 -1574 -903 -1745 -10 -951 435 -687 330 -964 468 95 1602 750 420 522 -1999 -378 -400 206 393 2453 542 2123 1620 141 782 -378 533 -707 801 -636 -225 -686 1026 -699 100 -410 -233 -234 -1441 -8 -502 1493 -1504 1242 -1036 460 -53 -832 200 577 -722 -2089 294 -1412 1438 -182 1301 -553 952 1279 131 235 -1483 1014 -562 625 -562 2581 -254 1347 -314 579 -272 209 706 -162 492 -1494 295 -2134 418 -364 979 -1475 311 -694 64 -145 -864 1041 -208 2699 -1673 1413 -726 1443 -231 1698 337 1664 -590 -261 -892 -504 666 -575 1766 -1039 1264 -105 602 -633 -97 -548 -356 801 173 1471 -1509 745 -2775 1269 -2149 405 -1237 777 623 -385 420 -717 1179 1109 2591 -160 1471 345 400 -2124 216 -1763 1031 742 -1959 -1180 -2399 -14 -1422 686 -1157 557 -1594 712 134 2096 987 580 768 -3195 -609 -635 317 578 3373 726 2666 2055 194 1150 -592 845 -1154 1341 -1140 -425 -1325 1999 -1385 192 -765 -417 -411 SS 20211005T055921.4Z 7948.249554 86 1 51.65 2 58.73 78.28 54.85 58.77 0.00 1 0.00 1 0 25 1.007e-02 6.783e-03 1.462e-03 4.404e-04 2.523486e-01 2.195426e-04 2.687859e-03 -6.000000e+00 5.716481e-03 227.87 -2.00 3.06 -2.00 317.48 0.00e+00 1.600508e-03 3.254351e-05 1.732719e-04 -6.000000e+00 2.485921e-04 278.12 -2.00 20.00 -2.00 316.81 0.00e+00 1.919 0.000 302.00 328.00 3 1.7570e+00 5.8089e-04 1.9408e-02 -6.0000e+00 1.4231e-02 2.6054e-02 6.5314e-04 1.1697e-02 -6.0000e+00 1.5473e-02 -2.7527e-03 3.9815e-04 5.6587e-03 -6.0000e+00 9.1908e-03 -2.3001e-03 1.9894e-04 2.0808e-03 -6.0000e+00 3.8870e-03 1.3807e-02 -2.3247e-04 1.2653e-05 2.0473e-05 -6.0000e+00 2.6910e-04 -3.9333e-04 11 8 0 10 0 0 99.99 18.51 0.23 -0.00039 -0.00214 1027 221 2 8 0 47.770 15.01 18.51 18.34 20.96 20.96 17.4 886.09 -1811 -2294 -3227 -4082 -1372 -703 639 559 -50 -1786 -909 935 -297 224 -86 -1278 -373 -174 -322 432 -449 948 1159 605 482 53 -767 -431 1189 2359 1887 2237 1516 -1779 -530 457 -289 475 -132 -1477 -1664 -897 -1146 -1097 -482 -963 -835 -462 -548 864 944 723 1055 677 510 1170 531 443 859 1108 1482 1188 998 398 -887 111 282 881 1828 227 -225 -317 -383 -80 -233 529 721 1096 1409 -242 -657 -1236 -2093 -1008 -1046 -998 -659 -593 -297 -319 485 404 1131 2027 1442 793 793 299 -733 -554 -379 -246 843 732 -943 -634 -594 -624 -65 -91 -238 -331 -94 143 397 1024 695 548 138 -663 -816 -230 -159 38 811 468 1184 1646 566 365 188 -13 125 410 -202 -362 -13 -88 -526 -190 -169 -320 8 -195 -270 -390 -463 -135 -65 62 61 -6 -227 -113 117 -43 37 -16 -268 -81 -39 -75 103 -110 227 280 154 130 15 -213 -112 286 552 471 606 447 -552 -152 127 -88 168 -56 -738 -906 -506 -666 -644 -281 -563 -478 -257 -298 466 536 442 679 458 354 824 350 316 599 767 1056 838 767 327 -733 84 213 643 1416 186 -201 -296 -356 -71 -193 427 523 752 1011 -199 -559 -1166 -2119 -1056 -1172 -1199 -833 -772 -385 -398 555 420 1065 1832 1387 848 943 395 -959 -771 -491 -291 935 843 -1199 -849 -831 -912 -91 -137 -377 -530 -144 203 558 1343 910 751 204 -974 -1228 -340 -246 57 1136 625 1487 2060 765 531 287 -20 200 624 -329 -620 -23 -158 -952 -335 -287 -523 13 SS 20211005T060508.4Z 7948.253569 89 1 1.15 2 57.47 77.45 53.76 57.67 0.00 1 0.00 1 0 25 1.360e-02 9.266e-03 1.053e-02 5.611e-03 2.464422e-01 2.836331e-03 2.623619e-03 -6.000000e+00 7.722902e-03 227.87 -2.00 3.06 -2.00 315.92 0.00e+00 5.350130e-04 2.906111e-04 4.051006e-05 -6.000000e+00 3.358537e-04 278.12 -2.00 20.00 -2.00 315.32 0.00e+00 1.854 0.000 302.00 328.00 3 3.0946e+00 7.3433e-03 1.8725e-02 -6.0000e+00 1.9226e-02 4.2706e-02 8.2012e-03 1.1054e-02 -6.0000e+00 2.0905e-02 -9.5749e-03 4.7218e-03 5.4360e-03 -6.0000e+00 1.2417e-02 1.1892e-03 2.1701e-03 1.5748e-03 -6.0000e+00 5.2508e-03 3.8549e-03 -2.8852e-04 1.5623e-04 1.8647e-05 -6.0000e+00 3.6360e-04 4.0147e-04 12 9 1 12 1 1 999.00 18.51 0.29 0.00040 -0.00177 1 22 1 8 0 485.150 15.00 18.51 18.63 20.96 20.96 17.5 887.81 -1203 -2640 -2508 -5624 -516 1588 -2260 2407 442 397 -5137 4973 -1015 626 -956 12 -890 487 1570 870 291 466 293 913 1175 132 -758 -1408 3012 956 1187 1757 1351 -1463 -653 1232 -976 2549 368 492 -2874 -934 -1404 -1311 -754 11 -1657 -1517 -1081 1078 979 455 838 601 1084 404 1030 458 -506 671 1371 1195 1756 758 -1391 306 875 267 1866 780 154 124 -24 615 16 -682 769 1498 1964 -1884 -654 -1511 -1851 -1557 -1573 -1861 -570 -370 -962 -1036 543 794 869 2517 1608 616 601 -382 -1021 -555 -486 5 1465 920 -999 -690 -781 -489 -782 -610 235 -561 396 169 569 885 1022 1014 33 -308 -589 148 -91 -175 966 930 835 1445 966 380 337 -96 209 -11 -122 -901 484 -586 -394 -631 -587 89 33 -262 -622 -594 -1290 -103 301 -464 525 107 99 -1322 1203 -281 191 -326 4 -333 185 608 347 118 188 120 386 516 60 -343 -612 1207 384 496 773 629 -703 -299 545 -466 1330 220 323 -2039 -673 -1031 -967 -553 8 -1204 -1084 -758 749 703 343 651 482 881 334 857 381 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