File name: Pandora159s1_Wakkerstroom_20231119_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240122T111512.8Z 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_20231119_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: 20231119 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 20231119T033513.6Z 8723.149463 51 1 50.05 2 83.24 108.35 130.04 169.86 0.00 1 0.00 1 0 25 6.476e-01 2.740e-02 3.778e-01 1.470e-02 9.013913e-01 8.742242e-03 8.598347e-03 -6.000000e+00 3.762012e-01 228.20 -2.00 3.06 -2.00 322.20 0.00e+00 1.605910e-02 5.031191e-03 8.889258e-03 -6.000000e+00 1.905896e-02 280.04 -2.00 20.00 -2.00 321.75 0.00e+00 7.770 0.003 302.00 328.00 3 1.8141e+00 3.3927e-02 1.0211e-01 -6.0000e+00 9.4239e-01 9.1767e-01 4.6601e-02 1.0571e-01 -6.0000e+00 1.0289e+00 -1.1571e+00 4.4115e-02 2.7494e-02 -6.0000e+00 6.0526e-01 4.5546e-01 2.0333e-02 1.8675e-02 -6.0000e+00 2.5693e-01 5.3819e-05 -2.5463e-03 4.0873e-04 1.2552e-04 -6.0000e+00 1.8321e-02 1.1540e-03 12 9 9 12 9 1 89.27 19.91 0.49 0.00115 -0.01798 34 8 4 8 0 1429.780 14.99 19.91 18.35 22.09 21.98 26.3 854.77 -50209 900000 -181873 -113512 -133348 30197 -215154 900000 900000 -154081 900000 -209718 900000 -109362 900000 -54706 900000 -38519 12595 -41100 900000 900000 156804 900000 63713 900000 62158 408570 -17368 900000 985 900000 34024 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3898 1710 431 2034 1547 -1150 71 2269 1919 1146 393 3568 -1169 746 -1447 427 -383 387 3409 -423 -900 -2753 812 -3663 -3388 -3765 -1798 -2451 -489 -383 -1334 -1324 -1644 -4341 9304 -3960 -2143 -1726 -5064 -1737 -4360 909 -1014 2129 509 1902 1680 -2445 2980 2094 2763 -646 4082 -1187 4969 2976 1877 812 1328 2263 233 3914 -539 -1282 -610 1602 -2447 50 370 -3257 -3088 SS 20231119T034137.4Z 8723.153905 54 1 49.17 2 81.88 107.67 129.80 168.05 0.00 1 0.00 1 0 25 5.367e-01 8.249e-03 3.805e-01 5.784e-03 8.142870e-01 3.321368e-03 7.827357e-03 -6.000000e+00 3.101434e-01 228.20 -2.00 3.06 -2.00 321.92 0.00e+00 1.272719e-03 1.862297e-03 4.094505e-03 -6.000000e+00 1.511231e-02 280.04 -2.00 20.00 -2.00 321.44 0.00e+00 6.650 0.002 302.00 328.00 3 1.5725e+00 1.2559e-02 7.0833e-02 -6.0000e+00 7.7364e-01 1.0659e-01 1.9986e-02 5.2702e-02 -6.0000e+00 8.4375e-01 -1.2462e-01 2.2744e-02 2.4703e-02 -6.0000e+00 4.9769e-01 3.8458e-02 1.0312e-02 7.3590e-03 -6.0000e+00 2.0959e-01 2.1471e-04 -1.2370e-03 1.6462e-04 9.2949e-05 -6.0000e+00 1.4691e-02 6.4877e-04 11 8 0 10 0 0 68.08 19.90 0.41 0.00065 -0.00865 90 19 4 8 0 546.250 14.99 19.90 18.77 22.09 21.98 26.3 857.13 -188770 -118693 900000 -277320 900000 -269544 900000 -157378 36696 900000 56550 -214764 -58413 -107319 20924 -67177 -73730 140846 900000 900000 -25975 24059 -86863 2488 123317 900000 -77841 -108171 -12040 -66790 10766 -5406 2204 24630 -41250 -3616 -6239 -12759 -7514 10663 -6701 10598 -17541 -7054 18805 16034 9064 14100 -11412 16274 -817 9590 7846 4889 -2097 -5270 2883 -2005 6031 5298 12851 5679 5137 1585 6363 2252 2227 -239 2284 1934 941 2565 -2925 1574 -1462 299 942 2071 -454 -199 -1403 -469 -2356 -2620 -973 -1386 69 213 1106 517 1987 1459 1188 235 1430 -802 693 185 -1515 59 345 309 179 1232 -1631 -1437 -1001 -663 -360 -1076 -403 -579 185 104 892 588 1263 1167 227 -775 -600 199 -482 -406 348 -145 1071 2039 -128 307 -263 325 147 559 -389 -263 -43 -99 -572 -456 179 283 596 -1063 -669 900000 -2083 900000 -1771 900000 -887 207 900000 319 -1815 -329 -605 118 -378 -519 793 900000 900000 -159 136 -1060 14 695 900000 -1206 -2234 -105 -1035 105 -71 32 312 -988 -59 -117 -311 -219 315 -271 393 -914 -341 715 647 408 642 -723 863 -59 711 663 470 -233 -641 336 -245 657 567 1315 696 735 271 1117 412 411 -48 503 459 250 700 -830 433 -375 67 199 451 -117 -62 -486 -186 -1057 -1258 -491 -746 39 122 622 281 995 692 599 127 805 -545 545 169 -1550 59 326 259 136 920 -1343 -1250 -915 -651 -392 -1352 -568 -880 284 155 1265 805 1730 1677 348 -1238 -934 292 -681 -555 456 -185 1303 2590 -192 528 -507 670 323 1307 -985 -701 -116 -273 -1571 -1197 434 634 1282 SS 20231119T035831.7Z 8723.165644 59 1 50.93 2 78.29 105.92 128.97 163.37 0.00 1 0.00 1 0 25 1.706e-01 5.616e-03 7.273e-02 1.237e-03 6.083225e-01 6.490441e-04 5.982460e-03 -6.000000e+00 9.700836e-02 228.20 -2.00 3.06 -2.00 320.89 0.00e+00 3.563466e-03 2.751858e-04 1.254512e-03 -6.000000e+00 4.246720e-03 280.04 -2.00 20.00 -2.00 320.33 0.00e+00 4.776 0.001 302.00 328.00 3 8.5931e-01 2.0619e-03 4.8623e-02 -6.0000e+00 2.4154e-01 4.5490e-02 2.7471e-03 3.0932e-02 -6.0000e+00 2.6247e-01 -2.2933e-02 2.8175e-03 1.4674e-02 -6.0000e+00 1.5604e-01 -2.9834e-03 1.3858e-03 6.4878e-03 -6.0000e+00 6.6055e-02 2.2414e-03 -1.0542e-03 3.4773e-05 5.2614e-05 -6.0000e+00 4.5615e-03 -2.3449e-05 10 0 0 10 0 0 46.19 19.90 0.26 -0.00002 -0.00794 384 83 2 8 0 128.580 15.00 19.90 20.17 22.09 21.98 26.5 864.53 10306 -71206 -7474 -41536 -73378 -81865 -91843 -35269 -53544 -40904 -43459 -17553 -41075 -6153 -25259 -6256 -12748 -1015 -7563 -18484 -15353 -9973 -4001 -11577 -4589 -11589 -2587 -11486 -240 -13774 -2896 1352 713 -2826 -5099 565 -5802 358 -1791 -44 -4614 -2457 -1536 -827 304 -186 -271 -1143 1870 -482 2278 657 2056 825 1362 567 457 -1421 -608 119 1406 1326 1420 1809 4 1769 1215 1600 1760 751 -60 -73 -683 48 -291 -84 235 220 1345 -187 -8 -932 -1728 -901 -950 -1062 -401 -381 -191 150 765 1063 1142 1933 1290 522 722 548 -761 -379 14 -25 878 504 -1385 -1161 -725 -724 -26 -201 -307 -387 -149 180 408 1182 731 587 -120 -787 -741 -76 -95 -47 367 269 971 1515 199 22 8 -95 147 190 -275 -389 80 -25 -373 -122 79 -81 400 26 -481 -29 -221 -496 -593 -798 -200 -413 -301 -346 -123 -461 -63 -396 -97 -218 -17 -149 -430 -357 -221 -87 -297 -119 -342 -71 -336 -6 -443 -99 53 33 -144 -256 27 -321 22 -140 -4 -500 -281 -184 -101 37 -24 -35 -155 256 -72 368 121 409 180 313 137 114 -358 -148 28 343 357 435 618 2 617 415 559 679 337 -27 -35 -324 23 -130 -33 87 82 551 -92 -4 -562 -1147 -628 -706 -843 -333 -326 -163 122 577 742 759 1303 975 458 728 631 -965 -479 16 -27 839 488 -1473 -1303 -851 -906 -35 -304 -471 -627 -240 277 636 1745 1087 914 -200 -1272 -1191 -127 -152 -73 542 381 1313 2106 315 40 14 -181 290 398 -618 -921 193 -62 -916 -288 175 -169 804 SS 20231119T040524.4Z 8723.170422 62 1 51.65 2 76.82 105.22 128.55 161.51 0.00 1 0.00 1 0 25 9.472e-02 5.758e-03 2.837e-02 8.099e-04 5.503438e-01 4.171094e-04 5.492431e-03 -6.000000e+00 5.386273e-02 228.20 -2.00 3.06 -2.00 320.47 0.00e+00 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