File name: Pandora159s1_Wakkerstroom_20231123_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240122T114345.6Z 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_20231123_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: 20231123 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 20231123T033651.3Z 8727.150593 118 1 49.34 2 82.70 109.08 134.15 242.23 0.00 1 0.00 1 0 25 7.080e-01 3.670e-02 4.096e-01 2.243e-02 8.284415e-01 1.330341e-02 8.651666e-03 -6.000000e+00 4.148530e-01 228.16 -2.00 3.06 -2.00 322.05 0.00e+00 1.437326e-02 7.250793e-03 3.064910e-03 -6.000000e+00 2.510608e-02 280.22 -2.00 20.00 -2.00 321.58 0.00e+00 7.287 0.002 302.00 328.00 3 2.8138e+00 5.0012e-02 7.0772e-02 -6.0000e+00 1.0495e+00 9.3359e-01 6.3076e-02 3.9644e-02 -6.0000e+00 1.1513e+00 -1.2247e+00 5.2300e-02 2.0933e-02 -6.0000e+00 6.6794e-01 4.8479e-01 2.5019e-02 1.1888e-02 -6.0000e+00 2.8556e-01 3.1076e-05 -2.7587e-03 6.4616e-04 2.1011e-04 -6.0000e+00 2.1226e-02 1.9222e-04 12 9 8 11 8 0 49.11 20.07 0.64 0.00019 -0.02054 22 5 4 8 0 2242.130 14.99 20.07 21.10 22.19 22.09 26.6 868.31 900000 -164143 -61288 900000 -29224 -15307 357737 900000 900000 900000 900000 900000 -91196 156241 -77517 900000 75926 900000 -17853 29408 150845 -18165 900000 75769 900000 -69611 900000 -61282 900000 -34931 900000 900000 900000 6082 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2759 -174 2203 1848 6895 -112 3059 3778 -4011 5090 2588 5477 2495 5035 -6127 3305 -5035 -4159 -4130 -1847 -1663 1658 401 -3260 -1279 -8698 2508 -2318 -3183 -6032 2077 -2283 -2648 -1685 -653 335 -4279 5939 -3755 1125 -2579 2913 -2732 2812 -1693 1275 -693 1848 -296 1638 -1604 1841 4589 -1119 5871 1191 86 514 4292 756 -3226 -2379 4909 1095 3783 3007 -5859 1998 -3554 3100 -3499 2586 -2845 -2550 SS 20231123T034316.6Z 8727.155053 121 1 49.01 2 81.35 108.41 135.37 240.91 0.00 1 0.00 1 0 25 7.806e-01 1.402e-02 4.002e-01 8.780e-03 7.346279e-01 4.950485e-03 7.070387e-03 -6.000000e+00 4.501948e-01 228.16 -2.00 3.06 -2.00 321.78 0.00e+00 1.169656e-02 2.707844e-03 2.791216e-03 -6.000000e+00 2.173239e-02 280.22 -2.00 20.00 -2.00 321.28 0.00e+00 6.286 0.001 302.00 328.00 3 2.5598e+00 1.8255e-02 6.7072e-02 -6.0000e+00 1.1231e+00 1.7229e-01 2.6943e-02 5.2370e-02 -6.0000e+00 1.2227e+00 -2.4742e-01 2.9109e-02 1.9348e-02 -6.0000e+00 7.2016e-01 8.9178e-02 1.3405e-02 1.5077e-02 -6.0000e+00 3.0563e-01 1.1212e-04 -1.5319e-03 2.5324e-04 1.2600e-04 -6.0000e+00 2.1577e-02 6.4401e-04 12 8 8 10 0 0 71.62 20.07 0.62 0.00064 -0.01087 49 11 4 8 0 998.780 15.00 20.07 21.45 22.19 22.09 26.6 870.12 63689 -309021 900000 -153978 900000 -236918 900000 -192791 900000 -15957 900000 -6029 -56823 -30416 900000 -83952 -49598 6800 -7450 36426 -93597 900000 -48182 900000 25741 64848 -86623 333192 291168 60231 97314 -58719 20934 54794 -1171 -46036 546944 45463 15389 -6000 46472 10395 2960 11254 4273 22355 5921 8726 9892 21907 21247 9523 8853 14287 -11666 6272 -3094 -1146 -3472 4723 1738 2873 3348 8910 6743 11485 7761 4530 7694 563 2738 -1444 3121 -1058 -3 3764 5029 2250 -3356 2625 -2292 -809 -1472 -2273 2480 -1312 -2014 -955 -971 -1947 2395 1039 1057 3107 -154 -490 350 -119 -1301 394 616 -707 266 382 -3385 -911 2021 -1292 -269 -1753 -760 -775 -510 -286 -235 566 1772 94 716 -1066 278 515 939 425 696 1006 -739 2346 -129 228 77 422 -135 682 -230 -401 592 -55 -655 -324 268 -481 -21 544 -7957 900000 -1316 900000 -2883 900000 -1730 900000 -136 900000 -52 -486 -260 900000 -1112 -547 58 -67 311 -2122 900000 -712 900000 220 554 -2161 2848 2489 515 832 -2033 394 799 -28 -1700 4676 887 486 -272 1428 490 159 586 245 1123 364 552 659 1404 1538 869 892 1481 -1644 768 -422 -152 -460 575 227 415 555 1599 1316 2133 1484 930 1693 153 802 -459 936 -310 -1 866 1074 510 -916 816 -881 -350 -706 -1165 1291 -751 -1221 -590 -602 -1175 1301 536 530 1590 -92 -344 286 -112 -1359 408 599 -624 212 302 -2991 -833 1894 -1339 -306 -2279 -1090 -1182 -788 -428 -336 771 2405 136 1095 -1713 437 772 1352 597 944 1321 -954 3077 -197 394 148 858 -291 1548 -559 -1025 1533 -144 -1738 -829 640 -1086 -45 SS 20231123T035747.1Z 8727.165129 126 1 49.89 2 78.28 106.92 138.06 237.72 0.00 1 0.00 1 0 25 1.902e-01 6.652e-03 1.500e-01 2.300e-03 5.818857e-01 1.213810e-03 5.768721e-03 -6.000000e+00 1.087135e-01 228.16 -2.00 3.06 -2.00 320.96 0.00e+00 4.051366e-03 5.209476e-04 1.232618e-03 -6.000000e+00 4.796978e-03 280.22 -2.00 20.00 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-151 -521 -56 -691 1022 -119 -1102 -1526 -464 -1015 54 48 -537 -250 -145 519 -113 1388 472 884 -214 -539 -884 125 -244 -42 669 299 1180 1137 613 -155 312 -108 284 83 -48 -551 41 108 -547 -114 32 208 -43 46 16 -250 -57 -657 900000 -1043 75 -1130 158 -699 144 -916 -143 -164 -544 221 -572 15 -813 131 -1146 342 -546 123 -792 49 -56 -272 46 -431 115 -470 284 -873 122 -828 282 -389 -73 -548 -461 -155 -607 63 -474 460 -573 451 -107 601 -55 675 376 429 274 -23 290 -233 895 22 1117 207 1376 -175 757 43 602 918 349 54 -181 -80 208 229 -285 591 -355 531 -243 66 -697 -1388 -886 -899 -578 -679 433 -81 565 394 954 -90 1148 688 434 377 331 -183 -636 -64 -710 949 -113 -1141 -1681 -532 -1247 71 71 -873 -425 -245 835 -171 1979 681 1331 -347 -917 -1505 204 -385 -65 969 417 1567 1560 945 -270 590 -216 591 170 -105 -1275 97 259 -1319 -265 69 464 -93 SS 20231123T040448.3Z 8727.170004 129 1 51.48 2 76.78 106.21 139.33 236.06 0.00 1 0.00 1 0 25 1.295e-01 6.098e-03 4.461e-02 1.554e-03 5.245244e-01 8.077933e-04 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