File name: Pandora75s1_EssexMD_20260123_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20260124T052503.5Z 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_20260123_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: 20260123 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 20260123T133052.7Z 9519.563110 70 1 52.44 2 79.02 126.54 105.26 75.56 0.00 1 0.00 1 0 25 4.157e-01 2.427e-02 1.762e-01 5.032e-03 6.858682e-01 2.803459e-03 8.621343e-03 -6.000000e+00 2.473673e-01 224.19 -2.00 3.48 -2.00 321.19 0.00e+00 1.409691e-02 1.328105e-03 4.879203e-03 -6.000000e+00 1.234511e-02 276.62 -2.00 20.00 -2.00 320.68 0.00e+00 5.061 0.002 302.00 328.00 3 3.3786e+00 9.2628e-03 6.2801e-02 -6.0000e+00 6.1094e-01 3.2509e-01 1.2061e-02 3.7443e-02 -6.0000e+00 6.6651e-01 -4.9211e-01 1.1629e-02 2.6755e-02 -6.0000e+00 3.9517e-01 2.1332e-01 5.5643e-03 1.5269e-02 -6.0000e+00 1.6599e-01 5.4110e-05 -5.6470e-04 1.5458e-04 2.7725e-04 -6.0000e+00 1.3228e-02 1.7838e-02 -4.4402e-05 12 9 8 11 8 0 97.12 22.92 0.65 0.01784 0.01359 21 3 1 5 0 2497.020 25.79 20.00 22.92 10.47 7.6 907.12 -270204 -43774 900000 900000 -103030 -147313 900000 -5797 -102666 900000 -111507 900000 900000 900000 900000 -2014 -47409 4027 87525 16721 196026 900000 47403 -2803 6486 26512 -27164 -35236 -14879 900000 4520 34211 36592 9066 32679 96893 22789 -19841 46984 41294 10809 53548 56242 23747 16390 29034 30260 17376 12410 46631 15460 17849 19223 31848 16835 30323 8264 3030 -747 -1898 10354 13483 9709 7412 11595 4657 8416 15 10293 4062 322 10868 -2938 -4002 -3187 424 -948 3688 -1976 -4503 -3535 -3879 -2712 -3142 -3100 -456 312 -495 -470 -960 2532 -617 -2796 -4647 -4399 -651 -249 -1090 712 365 -719 -1829 -2115 -1838 -2302 -3047 -1646 -119 58 588 2751 -281 -542 -1190 -621 1022 -527 -265 508 1323 1273 1364 2033 761 993 -672 720 2818 1909 286 -625 -96 97 -303 -225 -110 124 546 -318 577 -200 -852 -1843 -17685 -351 900000 900000 -1422 -2952 900000 -28 -1371 900000 -1738 900000 900000 900000 900000 -32 -1372 77 857 344 960 900000 697 -69 146 493 -865 -1208 -430 900000 146 989 1183 409 1136 1756 926 -1409 2002 2144 842 2911 3140 1907 1461 2361 2520 1719 1361 3905 1946 2422 2796 4368 2795 4485 1530 582 -146 -375 1902 2668 2268 1975 3118 1339 2333 5 3191 1506 135 4216 -1281 -1652 -1189 139 -300 1156 -744 -2060 -1870 -2123 -1601 -1984 -2083 -316 224 -367 -347 -683 1632 -387 -1759 -3133 -3337 -555 -246 -1130 777 398 -744 -1896 -2047 -1782 -2369 -3347 -1900 -134 73 817 4108 -420 -812 -1882 -933 1471 -783 -410 820 2171 2061 2129 3039 1110 1389 -926 975 3991 3064 482 -1166 -190 203 -626 -492 -249 287 1273 -735 1261 -415 -1814 -3905 SS 20260123T135608.6Z 9519.580655 82 1 50.84 2 75.21 131.24 100.58 79.57 0.00 1 0.00 1 0 25 3.696e-01 1.301e-02 1.292e-01 3.381e-03 5.498104e-01 1.783040e-03 6.491141e-03 -6.000000e+00 2.177060e-01 224.19 -2.00 3.48 -2.00 320.18 0.00e+00 4.551286e-03 6.200611e-04 2.309457e-03 -6.000000e+00 9.695513e-03 276.62 -2.00 20.00 -2.00 319.61 0.00e+00 3.839 0.001 302.00 328.00 3 4.0465e+00 5.2193e-03 4.7694e-02 -6.0000e+00 5.3679e-01 5.6766e-02 6.3891e-03 2.9017e-02 -6.0000e+00 5.8503e-01 -5.3529e-02 5.7257e-03 1.6697e-02 -6.0000e+00 3.4867e-01 1.1965e-02 2.9101e-03 6.6140e-03 -6.0000e+00 1.4539e-01 1.0620e-04 -3.2356e-04 1.0423e-04 9.8373e-05 -6.0000e+00 1.1443e-02 1.6825e-02 -6.1541e-05 12 9 8 11 8 0 99.92 22.93 0.61 0.01682 0.01439 22 4 1 5 0 2310.800 25.79 20.00 22.93 11.05 7.6 910.87 -200800 -86623 900000 -32579 -90301 -75762 -25378 -88095 -90737 58453 -75452 44819 -41460 287798 -10006 -27327 -38373 -29537 5034 -26279 23542 -579 4744 -12423 -2815 -12336 -13874 -24602 -28295 41804 4034 10233 -2766 -2259 1896 8411 -2365 -17281 4618 7448 -60 10091 6532 1152 207 3727 3819 -1625 -192 5273 3146 2964 5801 6394 2957 7146 691 -653 -2229 -1347 1677 5576 3608 1651 4491 891 2306 -1456 2292 1495 -185 3691 -679 -667 -2484 -891 -3366 205 -3062 -3737 -1294 -2211 -1949 -1068 -1856 -267 72 -31 829 1169 756 167 -622 -1188 -1386 102 435 311 666 2 -1457 -1187 -1440 -1373 -1145 -1945 -957 462 539 879 1781 510 138 -661 -502 981 -125 -260 595 710 608 632 811 432 542 -809 0 954 710 -308 -547 -467 -272 -599 -76 -18 157 860 154 -211 -129 -180 -743 -8065 -1298 900000 -303 -1407 -999 -234 -1685 -1974 308 -1617 325 -875 949 -241 -928 -1645 -1276 166 -1248 699 -22 178 -590 -129 -651 -755 -1468 -1754 1378 223 621 -216 -186 148 621 -213 -2114 545 1004 -10 1597 1126 216 40 710 742 -342 -41 1142 761 792 1639 1931 973 2333 223 -234 -797 -477 602 1917 1414 722 1974 398 1002 -675 1118 826 -114 2260 -429 -400 -1392 -446 -1626 97 -1650 -2350 -914 -1624 -1552 -897 -1678 -252 71 -32 825 1113 675 140 -508 -1004 -1294 107 479 384 870 3 -1803 -1343 -1539 -1488 -1312 -2376 -1225 625 736 1313 2844 853 230 -1056 -757 1407 -184 -398 951 1169 998 1008 1249 642 770 -1208 0 1346 1105 -534 -957 -861 -525 -1147 -153 -38 338 1859 332 -437 -255 -363 -1488 SS 20260123T142116.8Z 9519.598111 95 1 50.63 2 71.69 136.22 95.85 83.44 0.00 1 0.00 1 0 17 2.281e-01 1.318e-02 8.658e-02 3.312e-03 4.592773e-01 1.715643e-03 5.436339e-03 -6.000000e+00 1.343898e-01 224.19 -2.00 3.48 -2.00 319.49 0.00e+00 3.472105e-03 4.739675e-04 1.529569e-03 -6.000000e+00 5.901572e-03 276.62 -2.00 20.00 -2.00 318.90 0.00e+00 3.143 0.000 302.00 328.00 3 4.7663e+00 4.8003e-03 3.9067e-02 -6.0000e+00 3.3138e-01 4.9566e-02 5.6202e-03 2.3498e-02 -6.0000e+00 3.6111e-01 -4.6893e-02 4.3992e-03 1.2840e-02 -6.0000e+00 2.1512e-01 1.5294e-02 2.2873e-03 4.8824e-03 -6.0000e+00 8.9403e-02 1.1119e-04 -2.1233e-04 1.0359e-04 6.4476e-05 -6.0000e+00 7.0511e-03 1.6286e-02 8.4204e-06 12 8 8 10 0 0 99.60 22.95 0.65 0.01629 0.01469 18 3 1 5 0 2812.660 25.79 20.00 22.95 11.18 7.6 911.99 -138069 1368 87888 33819 -44902 -46934 145253 -55881 -62392 -18716 -16451 -6279 -6908 85331 -2555 -10624 -25523 -1355 1625 -4323 8969 13686 9389 -3665 1856 -5379 -1694 -19910 -2431 12951 1981 2702 1226 -9490 5189 4102 -2992 -12383 5024 3393 -1176 5159 3614 4785 -1214 5818 2813 -2641 -1900 4674 705 1227 3499 4946 3229 3955 929 -2415 -1833 -1784 2879 4494 2436 1921 2665 -18 227 -128 2460 2140 71 2446 350 -442 -1528 -1743 -1176 -1092 -1820 -3805 -1931 -2424 -1798 -925 -2111 98 -506 663 315 1631 0 509 -1646 -1547 -1304 902 203 -80 653 -136 -1288 -1295 -96 -663 -1381 -1686 -1104 647 701 1076 1585 430 119 -342 -635 756 -152 110 859 842 641 535 1127 20 108 -662 -37 1441 287 -1 -827 -279 -350 -370 -122 -110 71 414 99 546 53 -684 -852 -7988 22 710 459 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