File name: Pandora75s1_EssexMD_20260129_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20260130T052436.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20260129_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20260129 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20260129T130107.9Z 9525.542453 203 1 51.63 2 82.92 120.05 111.71 345.12 0.00 1 0.00 1 0 25 6.890e-01 2.933e-02 2.863e-01 1.002e-02 1.003123e+00 5.721137e-03 1.054308e-02 -6.000000e+00 4.061620e-01 224.39 -2.00 3.48 -2.00 322.30 0.00e+00 4.306573e-03 3.090211e-03 1.449650e-03 -6.000000e+00 1.807772e-02 276.60 -2.00 20.00 -2.00 321.85 0.00e+00 7.461 0.007 302.00 328.00 3 1.4382e+00 2.1280e-02 9.1010e-02 -6.0000e+00 1.0018e+00 1.5601e+00 2.5543e-02 5.2722e-02 -6.0000e+00 1.0916e+00 -2.1363e+00 1.7265e-02 2.6360e-02 -6.0000e+00 6.5074e-01 8.4333e-01 8.7292e-03 8.8286e-03 -6.0000e+00 2.7164e-01 2.5451e-05 -1.2511e-03 2.7157e-04 1.5828e-04 -6.0000e+00 2.1391e-02 2.0956e-02 -8.3171e-05 12 8 8 10 0 0 32.63 22.68 1.40 0.02096 0.01155 40 7 1 5 0 1290.650 25.58 20.00 22.68 -2.55 7.5 817.57 -71320 73648 900000 342940 4525 -32154 127398 -35456 -75321 67351 11189 57851 185344 289648 44650 21304 23618 91462 128284 52752 256401 118546 62222 39821 -7239 20624 -19175 -15666 -21968 900000 34946 24077 80330 -2438 66600 136036 83129 -40758 223905 32104 71519 152702 85393 41064 27729 129492 9865 32743 32820 152904 32145 86344 59372 141989 76033 114493 49525 21989 16737 19314 44897 34320 16526 21394 38189 17474 35023 21664 27026 38740 15986 46732 -3212 -1030 -12451 5355 14939 20884 4326 -17056 1167 -3800 7695 3994 -2292 4606 1403 8029 1591 -4855 -3249 -207 -8162 -6428 -7806 1633 -275 -5731 1951 -358 -2665 -5977 -4492 -4550 -5726 -6088 -1839 -1902 -2631 404 4091 -303 -505 -378 -2549 519 -2688 -1039 300 1837 2281 1400 4303 648 2582 -1376 2142 3906 2758 421 -15 500 -617 -558 -121 155 271 954 -889 2019 -405 -409 -3327 -8887 2219 900000 3351 193 -1685 1245 -1701 -5220 1077 308 1079 1811 2831 1626 1098 1259 2519 2393 1968 2506 1896 1658 1309 -373 770 -988 -710 -1015 900000 1149 1027 2141 -149 1893 1813 1920 -3585 2188 1740 2796 2985 3255 2368 1761 2911 733 1984 2085 3138 2419 4135 4004 4440 4756 4923 4017 2235 1668 1774 3203 2952 1922 2655 4255 2425 4176 3133 4094 5830 3234 7033 -760 -217 -2592 832 2029 2857 816 -4817 326 -1285 2557 1468 -947 1859 603 3264 678 -2107 -1305 -78 -3382 -2883 -4165 951 -194 -4946 1695 -319 -2276 -4737 -3200 -3206 -4286 -4855 -1515 -1740 -2779 438 4885 -411 -713 -531 -3585 701 -3838 -1528 454 2758 3298 1940 5563 842 3520 -1743 2933 5285 4419 804 -33 1183 -1463 -1427 -328 436 775 2715 -2509 5195 -985 -1009 -8270 SS 20260129T131154.0Z 9525.549931 206 1 51.82 2 81.13 121.90 112.17 347.49 0.00 1 0.00 1 0 17 5.307e-01 2.001e-02 1.216e-01 3.226e-03 8.896444e-01 1.783891e-03 1.041443e-02 -6.000000e+00 3.127552e-01 224.40 -2.00 3.48 -2.00 321.84 0.00e+00 1.157599e-02 9.924857e-04 6.207382e-03 -6.000000e+00 1.373358e-02 276.60 -2.00 20.00 -2.00 321.38 0.00e+00 6.139 0.004 302.00 328.00 3 1.2468e+00 6.4380e-03 7.9582e-02 -6.0000e+00 7.7154e-01 6.1476e-01 9.0669e-03 5.1601e-02 -6.0000e+00 8.4089e-01 -9.4847e-01 9.1613e-03 3.1901e-02 -6.0000e+00 5.0082e-01 3.8822e-01 4.2108e-03 1.4476e-02 -6.0000e+00 2.0787e-01 1.3655e-04 -9.9635e-04 8.7748e-05 3.2282e-04 -6.0000e+00 1.6415e-02 1.9664e-02 -7.9079e-05 12 8 8 10 0 0 18.59 22.68 0.95 0.01966 0.01218 112 18 1 5 0 462.680 25.58 20.00 22.68 -1.43 7.4 824.38 -271714 -144888 -80501 -111357 -190003 -159699 -98854 -151212 -214113 -154898 -154112 -118313 -69026 -66749 -58291 -70494 -52149 -20388 -371 -61319 38910 -4093 16853 -33114 -57295 5212 -61697 -20556 -60327 54971 -21522 -7133 38861 -5283 7777 20934 15775 -24971 43782 15676 40793 26439 42441 27898 18728 52192 24358 27702 22245 48438 17462 30599 18417 44652 24767 30401 19436 10883 8234 6615 14507 7561 15240 17668 17847 14637 14972 10319 13441 12298 7570 12581 4424 989 -290 976 -236 188 -2038 -3693 -578 -1010 193 212 79 1796 1693 1699 1910 189 -611 -2134 -3378 -4933 -4999 -1589 -1088 -1131 314 -1132 -1545 -2955 -2457 -3555 -3302 -3938 -1720 -1457 -151 731 1453 249 -503 -1002 -1160 -492 -641 34 793 1066 1932 1855 2233 1348 1887 -145 616 575 1131 714 68 248 -180 -194 13 155 295 473 -243 277 -528 -702 -1709 -11657 -2031 -622 -1115 -3750 -2147 -707 -1860 -5083 -2082 -2160 -1354 -632 -802 -834 -1391 -984 -309 -5 -1508 345 -54 178 -587 -1442 71 -1611 -349 -1575 519 -542 -191 758 -170 213 494 417 -1131 1171 641 1437 1148 1642 1281 960 1970 1264 1473 1344 2469 1357 2330 1738 3498 2486 2955 2116 1260 943 758 1597 994 2139 2746 2970 2565 2685 2062 2892 3022 2115 3432 1269 272 -73 218 -52 44 -566 -1262 -227 -459 95 102 40 952 935 956 1062 103 -315 -1177 -1899 -2779 -3270 -1196 -966 -1156 314 -1150 -1612 -2817 -2139 -3108 -3029 -3854 -1768 -1643 -175 961 2133 366 -763 -1506 -1835 -760 -1012 51 1245 1692 2956 2937 3384 1990 2683 -205 875 894 1860 1354 135 533 -416 -482 31 395 767 1233 -625 670 -1281 -1601 -3864 SS 20260129T132456.9Z 9525.558992 211 1 51.69 2 79.01 124.21 112.63 350.40 0.00 1 0.00 1 0 17 6.486e-01 1.408e-02 4.124e-02 1.397e-03 7.708819e-01 7.575313e-04 9.030342e-03 -6.000000e+00 3.822368e-01 224.40 -2.00 3.48 -2.00 321.17 0.00e+00 7.283071e-03 3.575344e-04 4.503350e-03 -6.000000e+00 1.678365e-02 276.60 -2.00 20.00 -2.00 320.67 0.00e+00 5.060 0.002 302.00 328.00 3 1.0447e+00 2.4608e-03 6.5829e-02 -6.0000e+00 9.4295e-01 1.7504e-01 3.3642e-03 4.3960e-02 -6.0000e+00 1.0277e+00 -3.3081e-01 3.4673e-03 2.7427e-02 -6.0000e+00 6.1207e-01 1.3352e-01 1.6515e-03 1.1552e-02 -6.0000e+00 2.5406e-01 5.4910e-04 -6.1873e-04 3.8935e-05 1.9893e-04 -6.0000e+00 2.0060e-02 1.9808e-02 -5.6689e-05 12 8 8 10 0 0 21.94 22.68 0.60 0.01981 0.01516 250 41 1 5 0 206.740 25.58 20.00 22.68 -0.78 7.4 828.79 -264963 -223477 -143354 -197232 -204319 -215337 -184848 -207109 -216054 -185466 -182455 -156959 -135944 -120360 -95930 -87321 -74732 -62959 -46950 -55254 -31871 -48952 -41660 -44588 -48843 -53686 -51539 -53844 -36673 -28879 -25937 -20663 -5566 -13920 -13605 -9908 -8205 -9368 5651 535 2673 7202 8971 7932 6018 9559 8775 5734 8728 11338 10454 10842 9190 12622 9733 9248 5992 3928 3432 3378 4887 5939 7737 7705 6719 5047 4656 2801 4473 4727 3953 4447 1990 650 -1023 -2451 -3742 -3181 -2783 -2386 -1599 -1845 -1507 -1558 -688 122 718 877 947 119 164 -910 -2045 -2341 -2014 -881 40 -48 135 -629 -1515 -1991 -1420 -1500 -1621 -1699 -1261 -533 452 948 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