File name: Pandora159s1_Wakkerstroom_20201030_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T170141.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v6d20191220.txt Level 1 file used: Pandora159s1_Wakkerstroom_20201030_L1_smca1c6d20191220p1-8.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: 20201030 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: Update session 4 based on session2 for SO2 First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0490 305.1898 305.3306 305.4713 305.6121 305.7529 305.8936 306.0343 306.1750 306.3157 306.4564 306.5971 306.7378 306.8785 307.0191 307.1597 307.3004 307.4410 307.5816 307.7222 307.8628 308.0033 308.1439 308.2845 308.4250 308.5655 308.7060 308.8465 308.9870 309.1275 309.2680 309.4084 309.5489 309.6893 309.8297 309.9701 310.1105 310.2509 310.3913 310.5317 310.6720 310.8124 310.9527 311.0930 311.2333 311.3736 311.5139 311.6542 311.7944 311.9347 312.0749 312.2152 312.3554 312.4956 312.6358 312.7760 312.9161 313.0563 313.1964 313.3366 313.4767 313.6168 313.7569 313.8970 314.0371 314.1771 314.3172 314.4572 314.5973 314.7373 314.8773 315.0173 315.1573 315.2973 315.4372 315.5772 315.7171 315.8570 315.9969 316.1369 316.2767 316.4166 316.5565 316.6964 316.8362 316.9760 317.1159 317.2557 317.3955 317.5352 317.6750 317.8148 317.9545 318.0943 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0721 319.2118 319.3514 319.4910 319.6307 319.7703 319.9098 320.0494 320.1890 320.3285 320.4681 320.6076 320.7471 320.8866 321.0261 321.1656 321.3051 321.4445 321.5840 321.7234 321.8628 322.0023 322.1417 322.2810 322.4204 322.5598 322.6991 322.8385 322.9778 323.1171 323.2564 323.3957 323.5350 323.6743 323.8135 323.9528 324.0920 324.2312 324.3704 324.5096 324.6488 324.7880 324.9272 --------------------------------------------------------------------------------------- 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: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20201030T033644.0Z 7608.150509 152 1 48.01 2 85.04 103.11 103.40 268.24 0.00 1 0.00 1 0 25 7.145e-01 1.453e-01 5.977e-01 1.276e-01 8.244290e-01 7.784345e-02 1.242797e-02 -6.000000e+00 4.500320e-01 228.16 -2.00 3.06 -2.00 321.02 0.00e+00 -4.555101e-02 1.686764e-02 6.257311e-04 -6.000000e+00 2.108783e-02 279.19 -2.00 20.00 -2.00 320.12 0.00e+00 9.928 0.006 302.00 328.00 3 2.7993e+00 2.2357e-01 9.7485e-02 -6.0000e+00 1.1218e+00 1.5552e+00 2.6586e-01 8.4161e-02 -6.0000e+00 1.2367e+00 -1.9026e+00 1.5169e-01 2.1833e-02 -6.0000e+00 7.2527e-01 6.9724e-01 7.9903e-02 3.8704e-02 -6.0000e+00 2.9577e-01 4.3143e-06 3.0951e-03 3.7445e-03 4.4820e-04 -6.0000e+00 2.1168e-02 8.6917e-03 0.0000e+00 12 9 8 11 8 0 4.24 18.83 1.68 0.00869 0.03195 12 3 4 8 0 4000.000 14.99 18.83 13.48 21.17 21.17 12.4 883.51 52942 900000 30915 205376 -37438 900000 -10681 900000 -65251 199012 8329 149077 172148 31213 900000 900000 83242 900000 900000 -3914 900000 32892 54943 -11531 31074 900000 900000 900000 32684 900000 75233 900000 -60707 900000 -30303 -36086 -66179 45487 119874 88021 900000 197123 232562 66797 900000 -57474 58765 -3247 900000 -38607 900000 -1723 117449 57862 900000 900000 65360 175934 311308 59107 -53380 900000 -48710 37004 900000 -23168 900000 -21239 38596 79226 80854 68625 54528 47962 65742 -86088 900000 -30429 78248 25886 28714 69043 3303 168922 37909 16512 -19244 81712 -17188 51068 3887 22901 27967 -37946 12487 9674 49718 11420 20984 1831 5644 8901 29894 -7205 23595 -21034 900000 9025 16249 29957 -12339 3992 -10125 11210 -11189 21354 -14513 2374 -5530 -10988 -4644 9783 -1584 -202 26326 -1094 41581 1385 2805 -1019 -8384 2290 -5047 10148 -2736 2597 4976 565 -4938 -462 -3805 7784 -2060 7807 900000 4364 25423 -6798 900000 -1846 900000 -30080 24635 2089 18454 21310 4997 900000 900000 10304 900000 900000 -648 900000 4072 6801 -2709 5873 900000 900000 900000 4046 900000 9313 900000 -14972 900000 -4963 -6014 -16195 5631 14839 10896 900000 24402 28788 8269 900000 -17169 7274 -504 900000 -8865 900000 -333 14539 7393 900000 900000 9618 21779 38536 7317 -17750 900000 -17096 6114 900000 -6646 900000 -6249 7196 11368 12419 12225 10838 9364 9612 -47767 900000 -9167 9686 5781 7225 13506 1339 20911 12558 7101 -12128 19606 -10452 15234 1699 7972 9237 -25133 5757 5253 20925 7826 14156 1475 4108 5670 14394 -5093 13405 -19534 900000 7124 13314 24517 -17142 5096 -15166 13442 -15958 21597 -20941 3040 -8078 -17470 -6814 11973 -2092 -258 25337 -1328 32627 1705 3928 -1696 -16613 4397 -11092 20793 -6846 6525 12468 1498 -13685 -1166 -9253 15735 -4458 SS 20201030T035210.7Z 7608.161235 155 1 49.46 2 81.69 101.42 106.74 266.52 0.00 1 0.00 1 0 25 6.330e-01 1.163e-02 3.932e-01 6.494e-03 7.856872e-01 3.624510e-03 7.600979e-03 -6.000000e+00 3.606305e-01 228.16 -2.00 3.06 -2.00 321.95 0.00e+00 2.485143e-02 2.052506e-03 1.151149e-02 -6.000000e+00 1.571030e-02 279.19 -2.00 20.00 -2.00 321.49 0.00e+00 6.512 0.002 302.00 328.00 3 1.8201e+00 1.3607e-02 1.0815e-01 -6.0000e+00 8.9810e-01 2.0963e-01 2.1037e-02 1.2822e-01 -6.0000e+00 9.7537e-01 -3.4189e-01 2.3501e-02 2.4567e-02 -6.0000e+00 5.7964e-01 1.4528e-01 1.0673e-02 2.8183e-02 -6.0000e+00 2.4578e-01 1.8158e-04 -2.0347e-03 1.7770e-04 1.5023e-04 -6.0000e+00 1.6915e-02 9.2874e-03 0.0000e+00 12 8 8 10 0 0 19.23 18.82 0.39 0.00929 -0.00600 75 16 4 8 0 659.380 14.99 18.82 14.32 21.17 21.17 12.3 888.03 -231235 -187620 -182129 -159524 -41373 -264878 -4757 -271570 -100803 -190884 -217712 -209529 -50236 -161407 -29596 1087 -74047 -18222 -124126 -476 -111497 -66698 -78810 27360 -69974 126239 20847 -75704 -362 -45019 30129 -44164 6287 -30245 31860 -33677 18054 -6747 -16932 -2161 5555 -25146 6123 14398 -14508 14611 -12520 11036 7447 15653 9332 13514 4955 28069 4654 3968 12807 2539 9197 -4863 8670 -729 8158 929 4442 3953 11019 7347 3735 3072 -142 6301 1574 2299 -319 4258 4133 2444 878 -2273 590 -558 -2408 -3020 -1301 -1078 1393 -807 3473 -461 1523 2980 1951 234 1540 -209 -928 -433 -1524 589 -98 914 -527 1916 -1036 -1409 -920 -1495 -1382 -838 -1776 -1118 281 584 415 1011 291 -41 -289 -1253 -1027 -236 211 238 795 1457 1217 2160 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9.196679e-04 7.464399e-03 -6.000000e+00 1.226887e-02 279.19 -2.00 20.00 -2.00 321.12 0.00e+00 5.668 0.001 302.00 328.00 3 1.5584e+00 6.1734e-03 8.4037e-02 -6.0000e+00 6.7349e-01 5.7664e-02 9.2928e-03 9.2250e-02 -6.0000e+00 7.3394e-01 -1.2365e-01 1.0549e-02 2.1120e-02 -6.0000e+00 4.3185e-01 5.5082e-02 4.9046e-03 3.3645e-02 -6.0000e+00 1.8378e-01 4.9522e-04 -1.4957e-03 8.8921e-05 2.0241e-04 -6.0000e+00 1.2825e-02 9.2901e-03 0.0000e+00 11 8 0 10 0 0 14.18 18.82 0.36 0.00929 -0.00195 138 30 4 8 0 357.580 14.99 18.82 15.01 21.17 21.17 12.5 892.91 900000 -180908 900000 -70784 900000 -200415 900000 -152746 900000 -121051 -132014 -92239 -89824 -37059 -69011 69329 -62616 900000 -80210 64703 -59578 293747 -55139 -6594 -64823 -44018 6740 -33024 7128 -13203 37369 -24227 33387 -8152 8140 -11358 16691 -3330 847 -4288 -4194 458 -4591 4151 -9812 10348 -7472 6829 -4662 4690 -3082 5407 3937 3229 1125 -334 2697 2473 4791 -1781 7002 -5415 782 -289 347 1798 466 1708 1556 1755 32 2942 120 2405 542 1382 -978 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