File name: Pandora159s1_Wakkerstroom_20200820_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T163143.4Z 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_20200820_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: 20200820 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 20200820T045137.8Z 7537.202521 19 1 49.55 2 85.08 73.44 99.48 81.52 0.00 1 0.00 1 0 25 7.695e-01 4.503e-02 5.401e-01 3.262e-02 1.109507e+00 1.985276e-02 1.053976e-02 -6.000000e+00 4.491543e-01 226.56 -2.00 3.06 -2.00 322.50 0.00e+00 5.101868e-03 1.032629e-02 6.866532e-03 -6.000000e+00 2.042058e-02 276.75 -2.00 20.00 -2.00 322.09 0.00e+00 9.998 0.006 302.00 328.00 3 5.3236e-01 7.4927e-02 1.0687e-01 -6.0000e+00 1.1182e+00 1.9257e+00 8.9575e-02 8.0315e-02 -6.0000e+00 1.2216e+00 -2.2074e+00 6.5729e-02 3.0126e-02 -6.0000e+00 7.1737e-01 8.1910e-01 3.4539e-02 1.1306e-02 -6.0000e+00 3.0250e-01 2.3073e-05 -2.0357e-03 8.3391e-04 1.2981e-04 -6.0000e+00 2.1858e-02 5.9899e-03 0.0000e+00 12 9 8 11 8 0 62.51 17.97 0.72 0.00599 -0.00931 31 7 4 8 0 1598.100 15.02 17.97 2.09 20.56 20.56 10.6 826.54 -16146 542780 -21070 900000 23734 164112 900000 900000 126263 -71725 -39564 122220 900000 -37260 900000 -101911 159890 72884 98304 79758 5462 900000 -24153 38189 21048 900000 27879 -30936 -42598 39496 147862 900000 6182 900000 140163 -98883 900000 -12949 86584 -40545 77653 119343 153607 27896 900000 168000 77174 176153 14705 142786 -612 139511 14620 83063 31204 138722 130130 -22667 9840 52634 14742 -1502 125818 22342 30048 -31818 116441 21422 21680 15376 49712 29964 20321 12906 -15675 25803 16407 74610 -25799 67073 13138 33324 -5041 4637 3438 13624 -8837 16003 9654 7327 -3290 -171 28 -17292 1303 -11228 11636 -4743 237 -1731 162 -1888 -4742 -1952 -11468 -4707 57045 3171 -5602 -1847 -4791 -3881 -1573 -1764 -208 1847 5490 -538 596 2313 2048 -2986 1690 -662 1747 240 843 7357 1057 -987 -57 1877 -1753 1121 -406 -365 -520 1069 -247 243 757 -2318 -51 -770 17228 -1084 900000 753 5209 900000 900000 4008 -3003 -1256 3879 900000 -1799 900000 -13036 5075 2313 3120 2532 238 900000 -1179 1212 668 900000 885 -1311 -1900 1254 4693 900000 308 900000 4449 -11697 900000 -733 2748 -3950 2593 3788 4876 1520 900000 5333 2450 5591 928 4532 -53 4428 1315 4101 2658 4403 4267 -3139 913 2979 1170 -149 4153 2329 3196 -6194 5470 2658 2970 2544 6435 4768 3433 2117 -2953 2850 1838 5005 -5318 6919 2758 6701 -1636 1462 1149 4291 -3579 5200 3288 2436 -1131 -54 9 -6966 514 -6034 6037 -3392 182 -1401 122 -1285 -2879 -1104 -7466 -3054 21491 2190 -4785 -1791 -5598 -5050 -2113 -2399 -272 2325 6719 -733 846 3306 2827 -4058 2067 -805 2036 276 949 8265 1498 -1709 -112 4033 -4214 2842 -1123 -1067 -1545 3162 -733 681 1938 -5570 -111 SS 20200820T050537.6Z 7537.212240 22 1 51.10 2 82.12 71.73 96.51 80.08 0.00 1 0.00 1 0 25 6.724e-01 8.102e-03 3.148e-01 3.342e-03 8.482402e-01 1.857895e-03 8.084568e-03 -6.000000e+00 3.828778e-01 226.56 -2.00 3.06 -2.00 321.87 0.00e+00 6.534704e-03 1.010303e-03 4.697828e-03 -6.000000e+00 1.674345e-02 276.75 -2.00 20.00 -2.00 321.43 0.00e+00 6.823 0.002 302.00 328.00 3 3.8238e-01 6.8330e-03 7.5495e-02 -6.0000e+00 9.4992e-01 1.8908e-01 1.1173e-02 6.1479e-02 -6.0000e+00 1.0333e+00 -1.6879e-01 1.3045e-02 2.5454e-02 -6.0000e+00 6.1262e-01 5.3187e-02 5.9100e-03 1.0457e-02 -6.0000e+00 2.5976e-01 5.6313e-04 -1.1999e-03 8.9103e-05 9.7862e-05 -6.0000e+00 1.7958e-02 4.9720e-03 0.0000e+00 11 8 0 10 0 0 10.90 17.97 0.24 0.00497 -0.00404 221 48 4 8 0 223.080 14.97 17.97 3.23 20.56 20.56 10.7 835.18 -200681 -131732 -268093 -67758 -304489 900000 -314959 -154445 -251593 -119051 -215915 -77990 -177309 -160407 -12199 -105563 43481 -108791 55427 -90654 3219 -92006 30250 -55420 -28869 14270 -36993 -57419 -84387 -34268 -48036 14569 -46172 47340 -29175 23128 -19527 2615 -709 737 9100 841 8441 -10072 14665 -8165 16124 -6098 15767 10775 8135 3868 10570 8706 5456 7653 2793 3986 -2093 2498 201 4694 -601 5656 2744 5450 5257 3824 5573 1432 2786 -692 1701 -651 -47 -782 -178 1168 1089 1144 -793 137 -2892 -1094 -2176 -806 -1078 -842 -430 1110 289 858 867 1420 1190 -268 1372 -400 12 -322 118 -476 1076 373 -1278 -1606 -28 -672 -693 -267 -1049 -342 -225 35 349 1061 1037 399 167 -492 -463 -105 237 -428 711 77 857 1589 181 -76 427 308 -334 455 -382 -247 -47 63 -647 54 83 -131 371 -654 -429 -1747 -221 -2706 900000 -3265 -503 -1789 -388 -1279 -254 -1156 -1235 -40 -813 142 -1192 181 -994 16 -1063 118 -509 -245 84 -374 -646 -1275 -391 -726 166 -1067 524 -622 288 -405 52 -18 22 294 32 323 -483 565 -411 669 -338 761 603 533 304 870 807 562 812 322 453 -245 272 23 572 -83 851 466 913 888 690 1103 344 735 -199 471 -173 -11 -168 -36 238 255 326 -277 55 -1341 -532 -1136 -441 -621 -499 -253 620 152 423 416 710 683 -185 1102 -381 13 -349 120 -432 853 291 -1078 -1442 -26 -677 -777 -342 -1541 -543 -366 55 532 1541 1508 610 270 -827 -763 -163 350 -616 976 102 1096 2104 279 -137 861 675 -722 1046 -950 -647 -126 170 -1753 139 199 -314 843 SS 20200820T051156.9Z 7537.216631 25 1 51.79 2 80.79 70.94 95.17 79.42 0.00 1 0.00 1 0 25 4.671e-01 6.317e-03 1.779e-01 1.928e-03 7.516988e-01 1.049049e-03 7.301497e-03 -6.000000e+00 2.647028e-01 226.56 -2.00 3.06 -2.00 321.50 0.00e+00 5.259558e-03 5.162126e-04 3.067558e-03 -6.000000e+00 1.147574e-02 276.75 -2.00 20.00 -2.00 321.02 0.00e+00 5.944 0.001 302.00 328.00 3 3.3313e-01 3.5812e-03 6.3135e-02 -6.0000e+00 6.5731e-01 1.1351e-01 5.3571e-03 4.5929e-02 -6.0000e+00 7.1484e-01 -8.6038e-02 6.1046e-03 2.0012e-02 -6.0000e+00 4.2475e-01 2.2135e-02 2.8648e-03 9.0783e-03 -6.0000e+00 1.8045e-01 1.2951e-03 -9.5880e-04 5.2359e-05 7.9123e-05 -6.0000e+00 1.2474e-02 4.7774e-03 0.0000e+00 10 0 0 10 0 0 19.36 17.97 0.26 0.00478 -0.00243 348 75 2 8 0 141.880 14.98 17.97 4.01 20.56 20.56 10.8 839.82 -171703 -229278 -51101 -119973 -155519 -176577 -165751 -123561 -161581 -27142 -153512 -111149 -107840 -41853 -81336 -26812 -74494 26517 -19641 -30687 8008 -24782 -18778 -38918 -2459 -45131 -25639 -33372 -20356 -25451 -8788 -6914 -3944 3461 -16112 4296 -12702 -73 -14693 2540 -4576 -216 -1994 1890 2677 724 5899 2463 6531 1575 5233 3096 5238 1220 4214 667 821 -1112 1166 2196 1604 3468 2450 1809 909 2581 2080 2323 2333 1627 -489 -673 20 -566 -652 -246 -78 -573 579 -1344 134 -1096 -1641 -1042 -1235 -865 -609 -611 -310 4 722 1089 719 1657 690 576 664 618 -248 -417 19 -66 1196 904 -1241 -1293 -613 -1122 -293 -264 -330 -462 -105 347 456 1210 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