File name: Pandora32s1_GreenbeltMD_20231125_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231126T061923.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231125_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20231125 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°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 20231125T125737.7Z 8729.540020 237 1 48.49 2 81.40 125.70 116.96 322.17 0.00 1 0.00 1 0 17 5.484e-01 1.450e-02 8.425e-02 3.432e-03 7.394137e-01 1.824900e-03 8.499343e-03 -6.000000e+00 3.078966e-01 223.44 -2.00 3.47 -2.00 321.39 0.00e+00 7.224909e-03 9.034289e-04 2.924412e-03 -6.000000e+00 1.366106e-02 280.46 -2.00 20.00 -2.00 320.87 0.00e+00 6.309 0.004 302.00 328.00 3 1.0701e+00 6.2468e-03 7.3433e-02 -6.0000e+00 7.5832e-01 3.2936e-01 8.5322e-03 4.0171e-02 -6.0000e+00 8.2543e-01 -4.6761e-01 8.3969e-03 2.4015e-02 -6.0000e+00 4.9279e-01 1.9256e-01 3.9875e-03 1.0137e-02 -6.0000e+00 2.1158e-01 1.7331e-04 -1.0087e-03 9.1711e-05 1.4229e-04 -6.0000e+00 1.4593e-02 1.0710e-02 -1.3452e-04 12 8 8 10 0 0 73.44 20.36 0.54 0.01071 0.00313 92 22 1 5 0 526.990 25.17 20.01 20.36 3.70 3.7 875.25 -190581 -164833 -140091 -167764 -153224 -202600 -152906 -178189 -149104 -164431 -164653 -160294 -133515 -121372 -84311 -51287 -81061 -49082 -43220 2776 -51559 -33020 11269 -63162 -19797 -39924 -14175 -29757 -52688 -44125 -22915 -17176 26198 13030 -12476 -7848 -11069 11357 2383 22317 17464 8696 6630 17379 16352 25004 15596 18944 16675 6542 14072 15760 15786 14898 13639 10698 10906 5089 5892 5428 6765 7593 11043 8986 6093 6867 6153 5168 5877 6433 3889 2601 2882 2608 -741 -864 -443 -2785 -2449 -892 -1420 71 -3404 -1581 -1443 -982 1334 -548 246 -151 -732 -658 -1102 -2592 -2141 -924 -1132 -660 -984 -703 -596 -1475 -1867 -1080 -1389 -1745 -1408 -1237 57 -140 -53 40 76 313 207 7 275 6 346 84 650 1129 1164 557 1128 996 170 966 530 534 439 314 -49 -58 179 -199 -25 -379 144 -25 -53 -631 -833 -3015 -2703 -1969 -3088 -2205 -4407 -2047 -3339 -2295 -3137 -3251 -3326 -2681 -2884 -1806 -978 -2414 -1183 -1070 46 -1484 -774 170 -2114 -457 -1176 -327 -787 -1728 -1418 -713 -627 736 462 -559 -320 -489 464 129 1188 1110 655 490 1314 1270 1824 1289 1579 1501 635 1404 1745 1936 2008 1983 1666 1742 859 955 859 1072 1303 2103 2009 1533 1724 1529 1330 1641 2063 1432 1023 1127 967 -259 -270 -127 -824 -805 -346 -607 35 -1919 -936 -906 -655 917 -398 178 -107 -488 -410 -662 -1620 -1494 -747 -996 -670 -1121 -823 -664 -1487 -1692 -1026 -1301 -1752 -1486 -1398 70 -195 -78 64 124 500 316 10 399 10 557 141 1084 1800 1775 830 1614 1485 247 1430 827 961 826 637 -106 -133 412 -486 -63 -966 366 -63 -123 -1455 -1835 SS 20231125T131228.3Z 8729.550328 242 1 48.46 2 79.10 128.34 118.54 325.60 0.00 1 0.00 1 0 17 3.531e-01 8.375e-03 4.181e-02 1.703e-03 6.192421e-01 8.771522e-04 7.066176e-03 -6.000000e+00 1.982712e-01 223.44 -2.00 3.47 -2.00 320.61 0.00e+00 3.170881e-03 3.513052e-04 9.072837e-04 -6.000000e+00 8.796742e-03 280.46 -2.00 20.00 -2.00 320.05 0.00e+00 5.096 0.002 302.00 328.00 3 1.2007e+00 2.6958e-03 5.9254e-02 -6.0000e+00 4.8832e-01 8.3375e-02 3.4689e-03 3.2002e-02 -6.0000e+00 5.3152e-01 -1.1807e-01 3.3403e-03 1.7207e-02 -6.0000e+00 3.1732e-01 4.4096e-02 1.6689e-03 6.2739e-03 -6.0000e+00 1.3626e-01 5.4988e-04 -7.7804e-04 4.6425e-05 7.0051e-05 -6.0000e+00 9.3958e-03 1.0259e-02 -1.2877e-04 11 8 0 10 0 0 62.45 20.38 0.37 0.01026 0.00441 164 38 1 5 0 295.470 25.17 20.00 20.38 4.73 3.8 881.68 -146695 -96479 -132368 -118715 -120241 -149156 -90330 -124396 -67492 -101817 -85505 -82125 -74038 -39563 -43699 -25214 -45544 -31417 -27226 -10748 -9216 -20778 -8987 -26883 -19671 -11484 -19180 -7843 -26782 -16113 -15048 -15457 9001 -4855 -1333 -7224 114 -3695 -703 6342 1731 4982 -1378 4260 4054 4199 6037 4723 4372 182 3407 5003 3629 7021 3508 5255 3153 827 1553 428 3217 1664 3583 3377 2324 2331 1392 1878 142 1651 684 576 604 -16 114 -1846 -1959 -2040 -2260 -998 -1516 -1153 -2108 -1641 -779 -1080 270 -120 417 430 619 350 -767 -464 -293 -113 -131 218 321 -497 -90 -1157 -759 -224 -1068 -1056 -716 -404 -85 429 185 319 264 405 184 170 278 208 -91 -77 -241 386 446 286 480 148 353 478 366 353 358 -49 -217 -47 -12 -217 -105 -40 9 -134 155 -260 -365 -2217 -1074 -2330 -1834 -1737 -2725 -960 -2107 -740 -1725 -1292 -1309 -1340 -657 -965 -565 -1437 -955 -868 -309 -271 -687 -270 -1045 -778 -446 -828 -297 -1196 -674 -722 -819 439 -301 -78 -435 7 -268 -61 620 203 616 -192 581 563 595 860 702 680 31 623 1012 754 1535 848 1305 828 224 407 111 824 470 1128 1208 905 900 526 715 60 787 341 304 320 -8 53 -857 -835 -859 -1040 -493 -888 -773 -1581 -1213 -608 -904 236 -109 379 380 513 270 -612 -371 -239 -106 -132 252 411 -617 -113 -1318 -779 -241 -1159 -1224 -870 -522 -111 624 282 521 436 648 279 259 420 328 -144 -128 -402 620 731 454 734 218 500 686 585 602 674 -93 -434 -94 -25 -492 -233 -90 20 -309 336 -532 -757 SS 20231125T131746.3Z 8729.554008 245 1 31.74 2 78.30 129.30 119.07 326.85 0.00 1 0.00 1 0 17 2.737e-01 7.657e-03 2.731e-02 1.319e-03 5.847869e-01 6.715949e-04 6.721922e-03 -6.000000e+00 1.536731e-01 223.44 -2.00 3.47 -2.00 320.25 0.00e+00 2.876358e-03 2.425877e-04 7.660645e-04 -6.000000e+00 6.817869e-03 280.45 -2.00 20.00 -2.00 319.66 0.00e+00 4.774 0.002 302.00 328.00 3 7.2006e-01 2.0032e-03 5.5559e-02 -6.0000e+00 3.7848e-01 6.5369e-02 2.5005e-03 2.9944e-02 -6.0000e+00 4.1195e-01 -9.2192e-02 2.2935e-03 1.5881e-02 -6.0000e+00 2.4594e-01 3.2937e-02 1.1692e-03 5.6833e-03 -6.0000e+00 1.0561e-01 1.2466e-03 -6.5183e-04 3.6025e-05 6.2342e-05 -6.0000e+00 7.2819e-03 9.9446e-03 -1.2574e-04 12 9 1 12 1 1 96.11 20.40 0.33 0.00994 0.00505 177 64 1 5 0 178.300 25.17 19.98 20.40 5.00 3.7 883.08 -89053 -107461 -88995 -81479 -100131 -85788 -99558 -77376 -94821 -62944 -75463 -85350 -32895 -49606 -28087 -31576 -25926 -13532 -16135 658 -19746 -8834 -15865 -15658 -5515 -10389 -4889 -17076 -12715 -13891 -7211 434 864 1798 -6573 -6980 -3746 -2872 1920 733 3250 2173 1262 3824 2087 5482 780 3110 1911 1995 3642 3234 4669 3024 3131 2273 2316 947 -311 1693 480 1516 2787 2417 2274 944 1273 148 1040 1399 708 620 5 240 -607 -1068 -1483 -2230 -1731 -1598 -1042 -1503 -1877 -1577 -1167 -727 -119 117 345 758 712 194 -38 -355 -156 20 103 400 232 -83 -499 -837 -659 -45 -936 -1391 -686 -697 -53 493 335 393 293 284 -15 365 351 28 161 -166 -220 400 352 495 226 315 -50 838 546 204 291 -384 -166 -57 -111 -162 -116 101 -15 10 27 -246 -374 -1111 -1949 -1477 -1258 -1713 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