File name: Pandora32s1_GreenbeltMD_20230913_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240223T220900.1Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230913_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: 20230913 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 20230913T113107.4Z 8656.479946 94 1 48.53 2 82.24 91.41 65.25 92.16 0.00 1 0.00 1 0 17 6.802e-01 2.990e-02 2.930e-01 9.443e-03 7.356351e-01 5.248834e-03 1.047353e-02 -6.000000e+00 3.975966e-01 229.43 -2.00 3.47 -2.00 321.75 0.00e+00 2.140335e-02 2.816646e-03 9.719233e-03 -6.000000e+00 1.888806e-02 288.90 -2.00 20.00 -2.00 321.18 0.00e+00 6.886 0.006 302.00 328.00 3 1.9986e+00 1.9735e-02 8.6189e-02 -6.0000e+00 9.9340e-01 8.8314e-01 2.4435e-02 5.1435e-02 -6.0000e+00 1.0791e+00 -1.2498e+00 1.8048e-02 2.6724e-02 -6.0000e+00 6.3700e-01 5.1221e-01 8.8708e-03 1.1129e-02 -6.0000e+00 2.6844e-01 3.5611e-05 -1.8153e-03 2.6111e-04 3.2582e-04 -6.0000e+00 1.8764e-02 2.8433e-02 3.0382e-05 12 8 8 10 0 0 53.76 26.60 1.30 0.02843 0.01479 27 6 1 5 0 1797.340 31.10 24.98 26.60 25.08 3.4 996.53 234875 -89619 111905 75006 32890 -134764 900000 900000 -12294 900000 -59280 -95424 54629 -51258 900000 6632 97212 146063 31356 900000 -27391 31707 280431 -21250 131866 -8515 900000 -5506 161439 -74321 188555 -25457 181672 11937 52280 26064 -23679 92824 3940 110352 38660 55421 150195 130644 70511 136789 71934 353035 50037 60795 11183 80749 64163 25393 50245 22723 42116 8399 12468 20514 33562 34660 18480 6672 9643 11410 30618 26112 18331 13614 6974 3079 -656 5684 -721 -6720 -1546 667 2018 -1910 -3629 -4739 -462 -439 7923 4185 182 -3055 -5159 4789 1051 -8750 -3557 -7737 -935 -3369 543 688 -3520 -2505 -858 -2731 -6380 -6317 -4788 -1614 -1235 -1119 -1707 -2762 -1043 530 -853 492 2760 -1728 -3 -1616 2331 1148 2033 1274 4397 2686 2065 -439 711 2396 -250 2562 1157 390 4 1233 -306 10 -36 -2802 278 272 324 -511 -1680 2161 -6538 1178 1065 600 -10668 900000 900000 -241 900000 -1638 -3921 643 -2300 900000 262 1772 1765 1229 900000 -1840 1105 2580 -1089 1425 -351 900000 -204 1485 -5802 1734 -1818 1971 729 2027 1199 -1776 2458 283 3165 2408 3072 3430 3734 3696 3840 3913 3247 3608 4139 1326 5386 5401 3280 5261 3099 4735 1265 1735 2582 3842 4300 3054 1401 2121 2460 5350 4818 3924 3445 2068 982 -214 1638 -201 -1780 -361 154 515 -606 -1379 -2079 -214 -215 3796 2198 104 -1863 -3222 2665 572 -4901 -1821 -4223 -536 -2309 419 610 -3597 -2606 -841 -2475 -5425 -5287 -4197 -1463 -1176 -1140 -1917 -3515 -1456 782 -1304 731 3875 -2442 -4 -2403 3542 1841 3232 1976 6418 3881 2922 -617 962 3301 -393 4452 2230 805 8 2796 -745 24 -93 -7502 730 694 786 -1178 -3773 SS 20230913T124518.2Z 8656.531460 128 1 38.33 2 67.98 103.67 51.47 105.14 0.00 1 0.00 1 0 17 9.082e-02 1.141e-02 2.528e-02 4.213e-03 3.261539e-01 2.136409e-03 3.724614e-03 -6.000000e+00 5.230867e-02 229.42 -2.00 3.47 -2.00 318.34 0.00e+00 1.759227e-03 4.193812e-04 2.415823e-04 -6.000000e+00 2.351326e-03 288.89 -2.00 20.00 -2.00 317.51 0.00e+00 2.643 0.000 302.00 328.00 3 5.2723e+00 5.8053e-03 3.0987e-02 -6.0000e+00 1.3024e-01 1.1076e-02 6.6227e-03 1.6673e-02 -6.0000e+00 1.4092e-01 6.2912e-04 4.3231e-03 8.2553e-03 -6.0000e+00 8.4116e-02 -2.7846e-03 2.2463e-03 3.1137e-03 -6.0000e+00 3.6220e-02 1.3388e-04 3.1485e-03 1.2128e-04 2.8774e-05 -6.0000e+00 2.4396e-03 1.9128e-02 7.6370e-04 12 9 9 12 41 1 99.98 26.66 0.81 0.01913 0.04279 9 3 1 5 0 3832.530 31.10 25.02 26.66 25.60 3.3 998.14 900000 16783 -1031 -21556 -1516 -60773 46799 42949 -4447 10980 -22156 -24108 49 3440 13030 -2232 -2460 2634 -1696 17330 -3937 1786 5778 2815 1175 -7189 9073 -3716 11711 -7904 12347 -9350 1207 -3034 -5946 -1869 -6381 1587 -3550 818 -2123 -477 6436 1260 927 3551 2188 3312 1919 4860 -2469 -883 1428 2108 1246 389 -822 -1538 290 -233 251 924 1118 983 -705 138 -509 576 -979 779 -1303 1502 -179 1201 -248 -1654 -1026 -1778 -2005 -2345 -1130 -2219 -1356 -1565 644 -843 818 789 -285 986 958 -1147 514 -955 523 995 748 1466 683 -63 -570 -641 -370 -1077 -834 -1273 -513 1 182 658 206 511 -661 -26 744 -306 1788 -793 132 -190 -214 346 1240 602 -422 -395 -227 635 265 553 222 -210 -991 90 -311 297 -58 -834 522 486 79 -315 -421 900000 811 -62 -1550 -82 -5352 1537 1625 -297 681 -1897 -2141 4 309 1250 -280 -333 357 -252 2249 -644 277 870 457 206 -1427 1572 -700 1813 -1443 1978 -2019 261 -720 -1403 -407 -1524 405 -1123 291 -853 -200 2627 548 408 1534 954 1415 824 2050 -1161 -440 741 1144 706 227 -495 -933 171 -137 150 580 759 714 -531 99 -345 378 -678 589 -1090 1282 -156 1010 -201 -1250 -710 -1186 -1377 -1785 -945 -2038 -1315 -1579 671 -936 938 930 -341 1147 1061 -1211 502 -918 517 1062 870 1835 910 -85 -739 -779 -427 -1264 -1033 -1659 -686 2 261 989 325 820 -1055 -39 1068 -423 2418 -1124 195 -293 -336 539 1884 896 -612 -555 -308 854 375 828 349 -337 -1627 151 -544 537 -108 -1567 979 901 144 -556 -731 SS 20230913T125036.4Z 8656.535144 133 1 49.49 2 66.98 104.61 50.50 106.19 0.00 1 0.00 1 0 17 3.777e-02 6.734e-03 1.203e-02 2.365e-03 3.231089e-01 1.196037e-03 3.756144e-03 -6.000000e+00 2.170154e-02 229.42 -2.00 3.47 -2.00 318.10 0.00e+00 1.419868e-03 2.195447e-04 1.037103e-04 -6.000000e+00 9.755095e-04 288.89 -2.00 20.00 -2.00 317.26 0.00e+00 2.537 0.000 302.00 328.00 3 4.6777e+00 3.2287e-03 3.0111e-02 -6.0000e+00 5.4032e-02 1.8586e-02 3.6703e-03 1.6659e-02 -6.0000e+00 5.8471e-02 8.5692e-03 2.3451e-03 8.1241e-03 -6.0000e+00 3.4926e-02 -1.1745e-02 1.2083e-03 2.6850e-03 -6.0000e+00 1.4924e-02 2.6678e-04 1.2934e-03 6.7493e-05 2.6146e-05 -6.0000e+00 1.0066e-03 2.3087e-02 3.6400e-04 11 8 0 10 0 0 99.99 26.66 0.80 0.02309 0.03281 27 6 1 5 0 1832.550 31.10 24.98 26.66 25.68 3.4 998.76 4673 -11092 7104 -10484 -7816 -28744 8919 4065 -8646 -13 -12778 -7276 284 2416 3328 3111 2233 2503 2077 11217 -2981 144 1753 -437 966 -2146 3996 -2883 2149 -3049 2152 -2139 1334 -3957 -3907 -2556 -3747 -337 -4613 1468 -1757 163 -110 111 350 389 -248 2192 -725 622 -571 1935 1600 1142 759 335 523 -576 1076 377 1136 1404 1430 992 -6 -295 537 266 213 567 -235 -527 -28 343 316 -108 -519 -222 -1050 -932 -1102 -1769 -1738 -1710 -62 -572 331 -272 379 597 601 499 -228 -20 839 258 532 936 130 -705 173 -992 -394 -125 -711 -702 -519 -651 33 309 262 460 139 118 342 -162 320 152 518 -92 -565 -214 573 29 358 -70 -55 778 356 570 7 -343 -449 518 -212 90 204 -423 117 170 83 -384 -469 252 -787 448 -760 -503 -2105 475 253 -684 -1 -1134 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