File name: Pandora159s1_Wakkerstroom_20200801_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T161311.2Z 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_20200801_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: 20200801 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 20200801T050710.5Z 7518.213316 142 1 49.00 2 85.27 67.05 114.62 223.22 0.00 1 0.00 1 0 17 5.687e-01 4.925e-02 5.242e-01 3.848e-02 1.006470e+00 2.371632e-02 9.414899e-03 -6.000000e+00 3.359089e-01 225.98 -2.00 3.06 -2.00 322.44 0.00e+00 -2.195883e-02 1.240657e-02 1.042938e-02 -6.000000e+00 1.696799e-02 276.69 -2.00 20.00 -2.00 322.01 0.00e+00 10.278 0.007 302.00 328.00 3 8.2741e-01 8.9980e-02 1.2434e-01 -6.0000e+00 8.3760e-01 1.3925e+00 1.1721e-01 1.2806e-01 -6.0000e+00 9.1861e-01 -1.7280e+00 9.7009e-02 4.1577e-02 -6.0000e+00 5.4242e-01 6.4617e-01 4.7823e-02 1.5818e-02 -6.0000e+00 2.3557e-01 2.0100e-05 -3.4871e-04 1.1009e-03 1.4004e-04 -6.0000e+00 1.6744e-02 5.4572e-03 0.0000e+00 12 8 8 10 0 0 3.39 18.41 0.78 0.00546 0.00284 30 6 4 8 0 1633.200 15.01 18.41 4.16 20.87 20.87 10.7 840.91 900000 900000 -32999 900000 900000 900000 -74944 900000 2710 -122338 900000 -63662 107650 184907 900000 -84998 900000 900000 900000 -65408 185101 92468 184689 900000 15544 -80392 68354 -83871 -968 -11099 -64632 900000 -66244 104598 37535 900000 900000 84664 900000 43168 87511 37008 -663 900000 17826 257201 900000 -1516 43015 105355 25841 48311 45854 111468 54251 122522 30518 900000 99527 109390 37287 -45429 -1503 18046 31913 37282 43279 18774 4157 44197 12712 27783 29059 35870 39059 38470 -37383 23604 -24006 23707 -2654 2075 3653 -7862 15841 -11552 6735 19235 24501 -1343 6689 -14686 -9448 -730 13358 12114 7440 -536 3361 -5725 -7147 -1163 -751 -1753 -4567 1276 -32694 4222 -644 337 -2473 -330 3324 -1746 879 -1456 4748 188 -1190 754 982 5509 2585 -511 8043 754 2522 5778 4757 -1485 1329 -478 -3311 -492 -1012 2822 -170 1352 -1960 -1342 1257 -645 -288 900000 900000 -1234 900000 900000 900000 -2801 900000 101 -7167 900000 -2380 4024 6912 900000 -5553 900000 900000 900000 -3572 6919 3457 6904 900000 581 -6806 2555 -6039 -36 -415 -3666 900000 -4879 3910 1403 900000 900000 3165 900000 1868 3271 2001 -51 900000 989 9614 900000 -93 1790 3938 1536 2597 2769 4167 3586 4580 2811 900000 4246 4089 2513 -7170 -174 1961 3236 3592 3982 2329 666 5541 2378 4658 4678 4997 4668 4059 -7640 2780 -5091 3801 -652 570 1105 -2849 4854 -4859 2466 6347 7575 -507 2195 -5657 -3455 -266 4919 5349 4039 -364 2441 -4640 -5526 -760 -437 -1009 -2896 811 -30572 2995 -541 327 -2851 -414 4206 -2332 1117 -1839 5673 246 -1664 1063 1340 6789 3142 -625 8853 869 2779 6560 6427 -2503 2484 -997 -7666 -1201 -2679 7614 -482 3808 -5659 -3680 3099 -1489 -629 SS 20200801T052118.1Z 7518.223127 145 1 50.29 2 82.40 65.29 116.62 220.62 0.00 1 0.00 1 0 25 6.430e-01 8.530e-03 2.882e-01 3.785e-03 8.011153e-01 2.101590e-03 7.639909e-03 -6.000000e+00 3.636614e-01 225.98 -2.00 3.06 -2.00 321.84 0.00e+00 6.359465e-03 1.130930e-03 3.917610e-03 -6.000000e+00 1.586331e-02 276.69 -2.00 20.00 -2.00 321.39 0.00e+00 7.039 0.002 302.00 328.00 3 4.4760e-01 7.6455e-03 7.3598e-02 -6.0000e+00 9.0184e-01 1.8269e-01 1.2129e-02 5.4886e-02 -6.0000e+00 9.8152e-01 -1.8526e-01 1.3985e-02 2.3118e-02 -6.0000e+00 5.8330e-01 6.0501e-02 6.3902e-03 1.0206e-02 -6.0000e+00 2.4986e-01 4.8110e-04 -1.1346e-03 1.0390e-04 9.0883e-05 -6.0000e+00 1.7289e-02 4.0476e-03 0.0000e+00 11 8 0 10 0 0 3.71 18.42 0.29 0.00405 -0.00448 200 43 4 8 0 246.470 15.01 18.42 5.70 20.87 20.87 10.7 849.99 900000 -304978 -62189 -213823 -237829 -203638 -192945 -222223 -139907 -168119 -199849 -106473 -161145 -168389 -154138 -86065 -100823 78571 -46270 24816 -56006 57928 -52702 -60053 -48547 -41491 -25499 -47003 -29031 -3094 20297 7266 34821 -10574 15742 -16571 48752 4047 -11995 -11467 -5126 29 -3611 14871 -7887 11079 9501 14197 8312 9256 4516 10677 13851 5842 2205 768 3895 -202 2399 -821 3934 5974 6675 4776 2844 2877 1523 4347 570 3465 -384 4001 -698 977 -914 -18 2775 -1333 9 -1698 121 -818 -1647 -1413 -242 -591 -415 -948 501 -58 147 735 -840 1179 -248 884 140 838 -434 167 -192 -413 646 -649 -2106 -2180 2961 -1102 -693 -647 -683 -582 -291 -38 371 1302 830 721 -308 -542 -765 500 102 -71 396 332 849 1607 478 -176 283 -119 140 228 -101 -350 263 -7 -530 -264 133 24 132 900000 -3785 -229 -1227 -1618 -970 -882 -1532 -516 -838 -1460 -393 -1256 -1921 -2039 -742 -1177 290 -403 116 -594 214 -567 -753 -591 -500 -273 -612 -326 -30 196 100 441 -227 258 -364 625 94 -397 -454 -217 1 -176 631 -426 517 471 712 473 571 329 835 1165 583 243 90 458 -25 279 -96 453 746 956 803 529 539 291 843 127 865 -110 1156 -211 272 -237 -4 586 -301 2 -526 44 -345 -775 -707 -128 -332 -245 -580 302 -34 81 379 -427 612 -149 611 114 784 -455 178 -194 -375 525 -523 -1827 -2010 2732 -1132 -785 -827 -984 -903 -461 -58 548 1842 1181 1073 -487 -891 -1243 767 151 -102 549 449 1100 2148 736 -313 554 -251 309 536 -253 -931 705 -19 -1450 -699 331 55 294 SS 20200801T052738.8Z 7518.227532 148 1 51.53 2 81.12 64.48 117.49 219.40 0.00 1 0.00 1 0 25 3.875e-01 6.002e-03 1.934e-01 2.067e-03 7.133186e-01 1.122958e-03 7.027991e-03 -6.000000e+00 2.191135e-01 225.98 -2.00 3.06 -2.00 321.45 0.00e+00 3.891561e-03 5.475080e-04 2.844954e-03 -6.000000e+00 9.515782e-03 276.69 -2.00 20.00 -2.00 320.96 0.00e+00 6.143 0.001 302.00 328.00 3 3.3205e-01 3.8208e-03 6.2496e-02 -6.0000e+00 5.4339e-01 7.3521e-02 5.6043e-03 4.2061e-02 -6.0000e+00 5.9118e-01 -5.8375e-02 6.3046e-03 1.8925e-02 -6.0000e+00 3.5142e-01 1.2023e-02 2.9750e-03 7.4976e-03 -6.0000e+00 1.4949e-01 1.1972e-03 -1.0798e-03 5.7355e-05 7.1826e-05 -6.0000e+00 1.0345e-02 4.0069e-03 0.0000e+00 10 0 0 10 0 0 -4.22 18.43 0.29 0.00401 -0.00411 332 71 2 8 0 148.470 15.01 18.43 6.73 20.87 20.87 11.0 856.99 -115310 -153443 -51413 -104173 -104932 -129282 -116378 -160437 -130815 -181589 14418 -103516 -63160 -51550 -64293 3396 -37697 -38234 -61601 -26399 -49594 8705 -45539 -7739 -26627 -14816 -14445 -4880 -16601 -4010 -8686 -13887 4249 -17203 -754 -22988 4855 -12259 3245 -6785 270 -2893 -2985 2308 -1025 1623 -1287 2508 -1097 3666 351 2266 4855 4940 2176 1092 133 -1050 1410 -818 2447 1971 2740 1943 2004 1901 2169 1521 2446 1440 275 858 -416 462 -1514 -344 -1244 -99 146 -441 324 -1011 -1258 -896 -754 -1164 -799 -916 130 -196 710 1336 1115 1416 1067 848 475 323 -664 -175 -187 138 492 627 -1632 -1037 -444 -834 -54 -303 -589 -484 129 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