File name: Pandora159s1_Wakkerstroom_20231019_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20231022T074058.2Z 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 v1.8.49 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20231019_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: 20231019 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 20231019T045152.6Z 8692.202692 49 1 49.60 2 70.59 91.29 105.88 132.07 0.00 1 0.00 1 0 25 3.161e-02 7.377e-03 2.139e-02 2.024e-03 3.894963e-01 1.019021e-03 4.004955e-03 -6.000000e+00 1.795379e-02 228.09 -2.00 3.06 -2.00 319.39 0.00e+00 1.236495e-03 2.613619e-04 2.890356e-04 -6.000000e+00 7.820034e-04 278.65 -2.00 20.00 -2.00 318.74 0.00e+00 2.976 0.000 302.00 328.00 3 3.5893e+00 2.8526e-03 3.0032e-02 -6.0000e+00 4.4710e-02 1.3860e-02 3.3215e-03 1.7908e-02 -6.0000e+00 4.8613e-02 -1.9353e-02 2.5201e-03 8.7725e-03 -6.0000e+00 2.8879e-02 -1.6471e-03 1.3240e-03 2.7769e-03 -6.0000e+00 1.2202e-02 7.8975e-04 -7.0157e-04 5.8795e-05 2.8436e-05 -6.0000e+00 8.4529e-04 5.4596e-03 11 8 0 10 0 0 99.90 19.33 0.26 0.00546 0.00019 64 14 4 8 0 774.850 15.00 19.33 19.66 21.58 21.48 26.0 862.56 -8431 -1429 -2277 -969 -9513 1949 -17263 11007 -11005 -372 -11919 -2523 -8036 -267 -2960 -8192 3306 -4902 3931 -6900 958 -3449 1800 -1966 1416 -3910 -2223 -1683 -316 4900 -2441 6164 -2077 491 -3380 4560 -1049 1329 -596 -1397 -1756 -1353 -801 -2255 -20 -2652 1316 -1766 1295 -160 1982 616 2014 1207 876 1539 -307 558 389 1877 1070 2846 391 1010 -707 1496 493 661 2294 435 358 -729 -160 -817 -75 -365 373 6 729 39 -590 -1004 -2050 -643 -1143 -885 -653 -265 -383 132 273 695 1017 1631 1638 567 745 -135 -531 -722 -9 -567 1158 23 -1439 -1435 2315 -895 -310 21 -688 -202 -282 578 193 1444 602 746 31 -792 -858 -239 -81 -343 592 197 1575 1163 580 -113 93 -121 89 237 -287 -279 87 182 -468 -96 -7 -135 -22 -237 -42 -69 -28 -269 48 -549 303 -417 -13 -487 -101 -395 -14 -195 -637 247 -421 328 -667 88 -330 169 -204 152 -463 -258 -186 -33 498 -294 767 -308 73 -500 614 -164 240 -132 -363 -501 -406 -248 -717 -6 -857 409 -563 404 -52 677 231 796 511 387 695 -143 258 176 834 496 1401 216 597 -430 844 266 355 1312 286 255 -547 -118 -584 -49 -219 205 3 418 26 -439 -827 -1815 -590 -1117 -919 -710 -294 -426 141 273 643 880 1398 1503 583 848 -171 -711 -960 -11 -656 1248 25 -1751 -1836 2976 -1238 -451 32 -1135 -340 -464 899 283 2002 842 1080 49 -1287 -1411 -383 -127 -520 862 277 2104 1579 851 -181 156 -208 157 435 -554 -563 178 379 -980 -197 -14 -257 -41 SS 20231019T045943.4Z 8692.208141 53 1 50.19 2 68.85 90.40 104.62 130.93 0.00 1 0.00 1 0 25 5.413e-02 1.045e-02 4.239e-02 4.770e-03 3.519635e-01 2.392608e-03 3.633101e-03 -6.000000e+00 3.074422e-02 228.09 -2.00 3.06 -2.00 319.20 0.00e+00 2.942843e-04 5.756347e-04 1.414608e-04 -6.000000e+00 1.339173e-03 278.65 -2.00 20.00 -2.00 318.54 0.00e+00 2.746 0.000 302.00 328.00 3 5.1068e+00 6.6464e-03 2.7454e-02 -6.0000e+00 7.6561e-02 2.3256e-03 7.6827e-03 1.5960e-02 -6.0000e+00 8.3249e-02 2.2490e-03 5.5938e-03 7.9117e-03 -6.0000e+00 4.9456e-02 -5.1961e-03 2.9344e-03 2.2642e-03 -6.0000e+00 2.0893e-02 2.1883e-04 -2.4410e-04 1.3986e-04 2.4747e-05 -6.0000e+00 1.4477e-03 6.5654e-03 12 8 8 10 0 0 99.73 19.33 0.48 0.00657 0.00473 21 5 1 8 0 2389.600 15.00 19.33 20.23 21.58 21.48 26.0 865.20 -19264 10029 -17509 18900 -20768 18383 2234 -7028 -12112 3302 12359 -727 8909 -15176 15416 -18910 -1341 -8548 10979 -6477 705 4694 10053 608 -1609 -1176 1106 6590 1360 5723 -7203 7888 -3218 4915 -37 2975 -2811 2477 -1485 -4858 -375 -3604 1428 -1413 -1312 -2651 3796 -1416 49 2800 1235 1671 -490 1285 -996 1001 -1785 1601 -386 2537 139 2326 764 283 713 161 828 119 2214 -494 730 -1718 -152 430 443 812 1477 2094 1534 478 -708 -79 -2988 -155 -1274 8 -465 -31 -1113 367 545 138 1024 2198 2555 251 1802 -139 108 -1551 -600 -1016 1290 963 -1217 -101 -4580 -690 -466 593 -480 499 -462 684 -25 981 40 592 425 -234 -295 -296 344 322 1259 272 1873 1148 840 -80 0 -574 104 778 -664 222 -390 214 -883 71 -185 18 -101 -769 335 -780 561 -817 486 74 -291 -589 145 502 -36 459 -1163 1024 -1943 -124 -893 1001 -727 75 483 1018 72 -209 -158 145 776 161 656 -1023 1075 -535 776 -6 449 -493 488 -367 -1445 -117 -1217 475 -489 -454 -934 1245 -484 17 942 451 660 -210 574 -472 479 -896 772 -186 1185 69 1217 443 177 446 95 456 66 1300 -337 535 -1340 -116 314 300 495 818 1124 888 317 -535 -65 -2709 -143 -1272 8 -516 -36 -1273 401 554 130 887 1870 2323 259 2037 -177 145 -2077 -751 -1171 1382 1072 -1489 -129 -6328 -963 -687 926 -799 840 -763 1057 -37 1340 55 848 651 -378 -483 -477 537 484 1801 375 2447 1534 1211 -125 0 -978 181 1396 -1269 442 -794 441 -1847 145 -361 34 -186 SS 20231019T051048.9Z 8692.215844 58 1 7.65 2 66.38 89.13 102.81 129.37 0.00 1 0.00 1 0 25 2.418e-02 8.290e-03 1.399e-02 3.167e-03 3.234843e-01 1.583983e-03 3.394305e-03 -6.000000e+00 1.373281e-02 228.09 -2.00 3.06 -2.00 317.94 0.00e+00 5.916135e-04 2.670182e-04 8.484383e-05 -6.000000e+00 5.981499e-04 278.65 -2.00 20.00 -2.00 317.26 0.00e+00 2.478 0.000 302.00 328.00 3 3.7255e+00 4.2349e-03 2.4918e-02 -6.0000e+00 3.4198e-02 -4.2780e-03 4.7853e-03 1.4602e-02 -6.0000e+00 3.7184e-02 -1.2320e-02 3.0362e-03 7.1911e-03 -6.0000e+00 2.2090e-02 1.5204e-04 1.5520e-03 2.0630e-03 -6.0000e+00 9.3336e-03 1.1310e-03 -4.8456e-04 8.9804e-05 2.2186e-05 -6.0000e+00 6.4655e-04 5.3154e-03 12 9 1 12 1 1 97.45 19.33 0.39 0.00532 0.00167 8 13 1 8 0 829.270 15.00 19.33 20.40 21.58 21.48 25.7 864.58 -2374 2652 -8148 -5008 -8001 -12466 4520 -5141 10248 -7177 -1301 -5453 80 -1182 5115 -1560 2128 -741 -1452 2009 -3569 1993 -5338 1344 -1530 1740 -1823 512 1323 2900 2511 1566 1360 -3740 55 -1547 615 115 2639 -1941 -1603 -969 -589 -1045 -268 -118 -2171 51 -1332 2167 -435 1647 480 1521 -276 1752 56 60 513 1021 2124 1152 2206 254 872 247 746 606 1862 587 -464 -848 -368 359 -548 851 127 1744 390 -393 -1379 -936 -2700 -688 -1131 -1238 -146 -1159 -521 -364 522 -142 1555 1862 1415 1 707 498 -322 -434 -667 -38 264 834 -1341 -850 -800 -599 -262 -261 -276 -202 -90 9 812 1250 1129 626 731 -749 -719 -374 270 172 494 348 1206 1917 399 403 -59 -22 37 552 -254 -376 46 -1071 -619 -80 -55 -25 226 -168 198 -686 -387 -575 -904 300 -420 806 -696 -120 -546 9 -151 706 -253 351 -132 -270 376 -719 379 -1118 280 -346 396 -427 112 273 593 552 381 358 -1056 14 -402 170 37 977 -848 -754 -474 -294 -530 -135 -60 -1101 25 -660 1061 -229 911 283 927 -175 1117 37 39 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