File name: Pandora32s1_GreenbeltMD_20250701_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250702T052601.8Z 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 v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250701_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: 20250701 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 20250701T104023.6Z 9313.444717 67 1 49.18 2 81.36 67.24 139.11 12.30 0.00 1 0.00 1 0 25 5.624e-01 2.451e-02 3.051e-01 1.031e-02 7.184942e-01 5.773577e-03 8.421539e-03 -6.000000e+00 3.300788e-01 232.74 -2.00 3.47 -2.00 321.63 0.00e+00 4.065847e-03 3.108406e-03 5.097264e-03 -6.000000e+00 1.515928e-02 288.88 -2.00 20.00 -2.00 321.05 0.00e+00 6.271 0.004 302.00 328.00 3 2.8504e+00 2.1834e-02 7.7421e-02 -6.0000e+00 8.2980e-01 4.7946e-01 2.8840e-02 5.0301e-02 -6.0000e+00 8.9956e-01 -7.8331e-01 2.4557e-02 2.1944e-02 -6.0000e+00 5.3355e-01 3.3623e-01 1.1518e-02 5.4051e-03 -6.0000e+00 2.2570e-01 3.0526e-05 -1.0764e-03 2.9132e-04 1.1517e-04 -6.0000e+00 1.5225e-02 1.2740e-02 -1.0976e-04 12 9 8 11 8 0 98.53 22.81 1.44 0.01274 0.00465 20 5 1 5 0 2458.750 27.45 20.00 22.81 31.89 6.2 1044.97 900000 -157160 -55016 -120348 -130577 -159630 3589 -90109 -122440 -57431 -150444 -83774 -47813 85685 -90984 900000 192111 55088 67162 900000 -58661 -11635 148241 25559 -8032 -12710 900000 18002 236778 -78051 34528 -14421 97862 -28850 32975 900000 -30484 6163 6466 172800 30238 51346 87772 83364 63422 26397 77641 189792 3018 57750 -11353 60838 26642 16984 41789 1993 13678 -6835 20832 21555 11736 15614 12924 26585 11260 9996 691 12602 6470 7889 4194 -1644 2411 1556 -165 7873 -8546 898 -1855 3895 3053 5325 8633 -1238 5245 1787 -5977 -1460 -3248 4952 -2657 8760 -4561 -2484 -1859 -10241 -2090 -952 -1555 -2794 -362 -3001 -3681 -2566 -4607 -819 -1600 322 397 435 1328 -45 227 -134 1289 1104 343 -1413 -590 1586 -815 -76 2358 1688 1145 -563 1142 2370 -696 1865 -66 1625 -1202 859 -548 1097 312 -1266 69 -292 689 -145 -2291 900000 -6071 -808 -3254 -3430 -5056 36 -1532 -3122 -799 -5346 -1618 -776 861 -3585 900000 1929 724 830 900000 -2629 -315 1489 494 -230 -393 900000 422 2378 -4342 780 -590 1638 -1716 1104 900000 -1743 304 355 2314 1752 2793 3453 3489 3238 1966 3509 2859 282 3577 -1421 4481 2799 2126 4326 319 1997 -1220 2720 2698 1632 2256 2177 4436 2366 2116 156 2580 1534 2127 1312 -575 808 499 -49 1934 -2271 216 -507 1198 1125 2218 3875 -656 2776 1047 -4004 -970 -2208 3019 -1644 4521 -2572 -1399 -1160 -8125 -1663 -868 -1592 -2986 -360 -2764 -3322 -2250 -4094 -751 -1562 331 447 554 1890 -71 363 -210 1905 1567 491 -2150 -947 2621 -1382 -124 3588 2510 1655 -800 1537 3233 -1102 3303 -124 3229 -2594 1936 -1345 2633 777 -3247 175 -721 1688 -333 -5141 SS 20250701T105413.5Z 9313.454323 72 1 48.60 2 78.86 69.24 138.51 17.26 0.00 1 0.00 1 0 25 3.568e-01 9.195e-03 1.103e-01 2.764e-03 6.234591e-01 1.478454e-03 7.107244e-03 -6.000000e+00 2.073917e-01 232.74 -2.00 3.47 -2.00 320.84 0.00e+00 3.045292e-03 6.386765e-04 1.907387e-03 -6.000000e+00 9.209545e-03 288.88 -2.00 20.00 -2.00 320.16 0.00e+00 4.991 0.002 302.00 328.00 3 2.0891e+00 4.8327e-03 5.9902e-02 -6.0000e+00 5.2061e-01 8.4456e-02 6.2904e-03 3.4376e-02 -6.0000e+00 5.6203e-01 -1.7670e-01 5.7617e-03 1.7728e-02 -6.0000e+00 3.3475e-01 7.0370e-02 2.8240e-03 5.4664e-03 -6.0000e+00 1.4207e-01 2.4717e-04 -7.0198e-04 7.6587e-05 7.2193e-05 -6.0000e+00 9.5178e-03 1.2192e-02 -1.2066e-04 11 8 0 10 0 0 84.88 22.88 0.67 0.01219 0.00692 81 19 1 5 0 599.910 27.45 20.01 22.88 32.45 6.3 1048.48 30004 -97634 -122464 -92953 -171948 -136241 -109160 -115231 -107584 -98757 -92478 -109660 -70909 -61436 -71823 -4446 -39149 -19319 -24247 12946 -16256 -21739 -6704 -38903 -13516 -20434 27105 -7674 -24093 -23638 -32848 -5631 7254 -14879 -6525 -4787 -8560 -6279 -3009 7157 5129 4734 -9403 7290 2285 6458 9275 8307 3183 -4020 3626 7933 6314 5891 3998 664 2721 2006 3659 3087 1385 5120 4709 3776 3077 1759 454 2265 680 2735 1494 1091 944 28 -51 -1166 -1844 -2201 -3094 -326 -740 -243 -1237 -2291 -263 -673 -479 298 748 568 720 1181 -309 -113 -573 -914 -453 164 -367 -885 -382 -1476 -935 -126 -1092 -1307 -1364 -472 50 415 55 411 633 46 325 -123 41 276 -17 471 -84 487 545 449 623 288 -132 527 208 122 305 221 -131 174 -426 -30 164 25 116 -254 57 -351 -524 81 -1026 -1815 -1027 -3847 -2020 -1295 -1646 -1624 -1491 -1371 -2099 -1128 -1143 -1878 -72 -1024 -458 -660 258 -451 -639 -173 -1499 -441 -760 643 -252 -909 -924 -1629 -257 340 -958 -380 -265 -524 -442 -252 596 499 502 -1214 823 276 763 1089 1012 424 -610 561 1320 1179 1203 888 160 663 496 870 722 336 1300 1361 1246 1098 629 159 790 262 1094 679 528 459 13 -22 -501 -732 -865 -1337 -148 -398 -149 -851 -1699 -204 -519 -391 250 630 466 554 913 -229 -84 -472 -804 -460 189 -439 -1089 -444 -1688 -968 -128 -1200 -1539 -1571 -573 65 607 84 666 1035 74 488 -190 63 410 -26 782 -142 790 851 678 969 433 -192 772 316 210 579 420 -261 367 -911 -67 381 59 276 -590 126 -770 -1106 SS 20250701T110006.9Z 9313.458414 75 1 48.67 2 77.79 70.09 138.18 19.33 0.00 1 0.00 1 0 25 2.801e-01 7.805e-03 3.750e-02 1.713e-03 5.784573e-01 9.048826e-04 6.584846e-03 -6.000000e+00 1.628445e-01 232.74 -2.00 3.47 -2.00 320.40 0.00e+00 2.474813e-03 3.420533e-04 1.230414e-03 -6.000000e+00 7.230786e-03 288.88 -2.00 20.00 -2.00 319.69 0.00e+00 4.586 0.002 302.00 328.00 3 1.7300e+00 2.7888e-03 5.4905e-02 -6.0000e+00 4.0879e-01 4.0716e-02 3.4984e-03 3.0973e-02 -6.0000e+00 4.4127e-01 -1.1026e-01 3.0719e-03 1.5746e-02 -6.0000e+00 2.6283e-01 4.2249e-02 1.5491e-03 4.8865e-03 -6.0000e+00 1.1157e-01 5.4428e-04 -5.0615e-04 4.7420e-05 5.7665e-05 -6.0000e+00 7.4707e-03 1.1652e-02 -8.0673e-05 11 8 0 10 0 0 98.31 22.93 0.47 0.01165 0.00785 122 29 1 5 0 398.900 27.56 20.01 22.93 32.67 6.2 1049.70 -82979 -100339 -77616 -82102 -101222 -125987 -70788 -108122 -59708 -87119 -83591 -76002 -55296 -40076 -53970 -14867 -23146 -15112 -6491 -7850 -5177 -17186 -3712 -17050 -8634 -3727 -5437 -3638 -12833 -14546 -7346 -8194 -51 -3208 -1549 -3479 -4599 -2346 -3885 4977 -1082 2862 -3344 3831 4216 573 3432 3279 1717 115 1996 5072 3093 4747 2123 621 2208 260 1627 718 2215 2254 2926 3410 1911 1474 575 1713 1087 1735 775 358 874 17 67 -519 -2029 -1528 -2297 -843 -1469 -1233 -1705 -1879 -383 -453 114 401 356 1016 430 1102 -709 -223 -39 -318 -174 51 75 -892 -451 -1151 -729 -272 -1291 -1141 -900 -402 -99 398 349 255 431 172 294 215 242 285 9 90 -347 432 494 269 440 87 248 837 480 198 62 -6 -223 127 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