File name: Pandora159s1_Wakkerstroom_20240809_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240809T221122.8Z 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_20240809_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: 20240809 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 20240809T051443.5Z 8987.218559 50 1 50.07 2 82.42 67.90 116.57 109.70 0.00 1 0.00 1 0 25 5.829e-01 3.064e-02 3.608e-01 1.679e-02 7.450038e-01 9.343435e-03 7.638227e-03 -6.000000e+00 3.354421e-01 226.20 -2.00 3.06 -2.00 321.82 0.00e+00 1.678043e-02 4.638025e-03 6.939230e-04 -6.000000e+00 1.523719e-02 276.64 -2.00 20.00 -2.00 321.35 0.00e+00 7.055 0.002 302.00 328.00 3 2.7218e+00 3.2668e-02 6.8812e-02 -6.0000e+00 8.3792e-01 6.9438e-01 4.1995e-02 4.5591e-02 -6.0000e+00 9.1902e-01 -9.8094e-01 3.7349e-02 1.8757e-02 -6.0000e+00 5.4034e-01 4.1738e-01 1.7976e-02 1.6200e-02 -6.0000e+00 2.2902e-01 4.7203e-05 -1.9606e-03 4.7862e-04 1.9128e-04 -6.0000e+00 1.6295e-02 1.1270e-02 12 9 8 11 8 0 42.29 18.92 0.39 0.01127 -0.00346 22 5 4 8 0 2275.560 15.00 18.92 19.65 21.27 21.27 26.3 847.91 900000 900000 -135396 900000 -162590 -58125 -119635 900000 -143995 -91907 -125037 -100295 261126 23108 56176 27371 158939 25397 900000 -49846 900000 -23220 65275 -48336 281678 32828 -49103 -33934 37561 -4002 -39196 900000 20509 900000 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-421 4549 797 191 1765 -4097 2085 -2657 940 -2704 1659 -3381 395 -3234 446 -1324 -1148 1010 -6670 1640 -4186 -1518 -3042 1203 -1518 -618 -1715 1290 -2887 -4711 -465 -5989 145 -1894 -3380 -3363 874 -37 4382 -672 309 2793 -847 4034 3525 4124 -770 6771 -2024 3752 3133 2693 -507 4995 3181 -286 2195 -546 -770 -1860 402 -6645 905 211 1603 -4631 SS 20240809T052057.4Z 8987.222886 53 1 49.92 2 81.14 67.11 115.30 108.82 0.00 1 0.00 1 0 25 4.834e-01 1.159e-02 3.460e-01 7.006e-03 6.932780e-01 3.835883e-03 6.743798e-03 -6.000000e+00 2.747206e-01 226.20 -2.00 3.06 -2.00 321.55 0.00e+00 4.203793e-03 1.927559e-03 3.036348e-03 -6.000000e+00 1.303196e-02 276.64 -2.00 20.00 -2.00 321.06 0.00e+00 6.154 0.001 302.00 328.00 3 2.4261e+00 1.3228e-02 6.2384e-02 -6.0000e+00 6.8387e-01 1.0624e-01 1.9275e-02 4.2326e-02 -6.0000e+00 7.4705e-01 -1.4043e-01 2.1247e-02 1.8327e-02 -6.0000e+00 4.4133e-01 5.2482e-02 9.9782e-03 7.0360e-03 -6.0000e+00 1.8619e-01 1.5084e-04 -1.3377e-03 2.0093e-04 6.8629e-05 -6.0000e+00 1.3140e-02 1.1168e-02 12 9 8 11 8 0 66.22 18.92 0.53 0.01117 0.00112 45 10 4 8 0 1109.120 15.00 18.92 19.85 21.27 21.27 26.4 849.27 178368 38067 30124 -167334 900000 -99562 -179824 -263495 900000 -99057 900000 74878 -115860 -43692 -128963 900000 -37495 -7675 51547 900000 -86517 -9752 12513 36379 2539 -7513 19072 -29535 29079 -65354 67164 -25471 123965 -4901 197607 -24081 13530 16830 400 -12506 28553 -9760 -1793 19573 318 24180 18500 34033 -3362 16750 -8127 3733 4147 -1525 13019 732 3052 -4570 10356 -606 4566 5881 9607 542 4589 4848 3406 1182 -745 1641 -2054 1785 -2700 5589 -3596 2575 867 5491 1214 -1485 -456 -1285 -2002 -30 79 -1508 7 -1605 179 -1590 963 1348 1410 1209 365 1061 -347 594 -1568 1156 -321 100 146 254 -2279 -450 495 -1909 -683 -610 141 -1465 -356 737 572 432 1470 267 103 -951 -342 199 262 -51 293 1142 725 2008 219 499 -461 696 -394 469 181 -585 511 -760 -122 -507 292 -137 172 1217 260 206 -1382 900000 -680 -1674 -6327 900000 -676 900000 511 -1292 -317 -2743 900000 -451 -77 352 900000 -2203 -119 129 326 34 -117 235 -572 322 -1998 692 -779 1038 -152 1349 -869 376 542 19 -776 1340 -712 -128 1171 23 1452 1214 2015 -301 1336 -922 427 518 -218 1718 114 475 -762 1460 -93 700 985 1783 124 1064 1101 778 288 -206 512 -726 635 -986 1773 -1135 689 224 1394 364 -545 -194 -630 -1076 -17 47 -974 5 -1119 122 -1064 585 769 778 702 241 808 -310 599 -1748 1252 -330 92 124 218 -2146 -440 506 -2134 -828 -829 210 -2350 -567 1126 833 604 2054 396 161 -1561 -550 306 389 -73 409 1527 942 2709 341 868 -885 1398 -836 1051 432 -1475 1300 -1973 -314 -1266 681 -301 369 SS 20240809T053350.1Z 8987.231830 58 1 49.39 2 78.52 65.42 112.64 107.06 0.00 1 0.00 1 0 25 1.671e-01 6.501e-03 9.475e-02 2.229e-03 5.676414e-01 1.156438e-03 5.676566e-03 -6.000000e+00 9.415632e-02 226.20 -2.00 3.06 -2.00 320.79 0.00e+00 3.221514e-03 4.637784e-04 1.320924e-03 -6.000000e+00 4.097269e-03 276.64 -2.00 20.00 -2.00 320.26 0.00e+00 4.864 0.001 302.00 328.00 3 1.8306e+00 3.5846e-03 4.7956e-02 -6.0000e+00 2.3360e-01 4.5373e-02 4.6597e-03 2.8924e-02 -6.0000e+00 2.5450e-01 -3.1909e-02 4.6883e-03 1.3476e-02 -6.0000e+00 1.5124e-01 1.9182e-03 2.3378e-03 5.5128e-03 -6.0000e+00 6.3984e-02 8.4255e-04 -1.0718e-03 6.3477e-05 5.0469e-05 -6.0000e+00 4.4664e-03 1.1255e-02 11 8 0 10 0 0 51.27 18.91 0.31 0.01125 0.00320 136 29 4 8 0 363.130 15.00 18.91 20.65 21.27 21.27 26.5 853.54 -47100 -57709 -22613 -49815 -20036 -88706 -39621 -100876 -10918 -56865 6956 -49572 -3245 -21217 -3177 22952 -14012 -2692 -22640 8810 -19149 8292 -19233 -1297 -10130 -7785 -11651 -437 -4934 -7638 -2303 -1043 118 -12859 4036 -12877 2240 -615 -1674 -5928 -1171 -2025 -2744 -1534 -2708 2453 -4029 1866 -2541 3201 143 2743 2435 1575 2811 113 973 778 2242 244 1959 398 2773 848 1190 1097 1074 2549 1617 1268 143 202 -881 517 -1539 952 -264 731 642 81 -424 -1140 -1686 -1010 -814 -1109 -273 -1054 460 39 1097 515 1512 1303 1050 350 466 352 -729 -117 -455 375 594 462 -1724 -515 -667 -828 68 -257 -402 -420 24 -20 729 861 1112 498 -135 -846 -423 34 -413 -146 362 512 1351 1526 12 289 73 217 12 443 -325 -305 247 -694 -359 -109 82 -110 508 -288 -456 -134 -374 -113 -894 -266 -1435 -78 -629 47 -607 -31 -314 -49 322 -318 -60 -667 200 -590 195 -623 -38 -352 -278 -437 -14 -167 -285 -96 -51 7 -854 217 -817 135 -46 -155 -679 -143 -267 -383 -217 -393 346 -618 277 -409 518 26 549 534 376 697 30 262 208 576 63 520 119 838 290 421 375 357 932 607 549 69 101 -437 239 -664 392 -102 283 278 38 -233 -713 -1150 -724 -622 -907 -233 -930 398 33 840 369 1019 902 811 313 478 410 -925 -147 -532 390 569 453 -1864 -582 -793 -1050 94 -392 -672 -732 40 -33 1110 1250 1621 766 -223 -1464 -725 55 -659 -224 530 718 1806 2116 18 509 139 403 23 903 -712 -702 578 -1666 -859 -250 177 -225 1003 SS 20240809T054045.3Z 8987.236635 61 1 49.36 2 77.12 64.49 111.20 106.14 0.00 1 0.00 1 0 25 1.022e-01 6.063e-03 3.777e-02 1.451e-03 5.124215e-01 7.425751e-04 5.174468e-03 -6.000000e+00 5.758021e-02 226.20 -2.00 3.06 -2.00 320.39 0.00e+00 2.481764e-03 2.646976e-04 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