File name: Pandora75s1_EssexMD_20241102_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241103T060512.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241102_L1_smca1c1d20221230p1-8.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: 20241102 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20241102T121942.4Z 9072.513686 53 1 51.09 2 82.95 115.99 95.20 114.63 0.00 1 0.00 1 0 17 7.723e-01 3.316e-02 3.315e-01 8.390e-03 7.298925e-01 4.921518e-03 1.018770e-02 -6.000000e+00 4.671628e-01 224.59 -2.00 3.48 -2.00 321.66 0.00e+00 1.654428e-02 2.603204e-03 1.046676e-02 -6.000000e+00 2.189516e-02 283.18 -2.00 20.00 -2.00 321.17 0.00e+00 7.482 0.007 302.00 328.00 3 1.2321e+00 1.8030e-02 9.4789e-02 -6.0000e+00 1.1526e+00 9.2877e-01 2.2266e-02 6.0273e-02 -6.0000e+00 1.2510e+00 -1.2871e+00 1.6643e-02 3.0740e-02 -6.0000e+00 7.4493e-01 5.3650e-01 7.9419e-03 1.1205e-02 -6.0000e+00 3.1871e-01 4.1577e-05 -2.3136e-03 2.5762e-04 3.9105e-04 -6.0000e+00 2.3933e-02 -2.6542e-02 1.3967e-04 12 8 8 10 0 0 99.32 23.43 0.99 -0.02654 -0.04393 38 6 1 5 0 1344.380 26.21 20.00 23.43 16.09 5.6 930.70 -129914 89248 276045 48626 -75573 34111 199104 68152 -87687 -34243 -72048 -19197 900000 177572 -19926 250009 91541 101456 900000 165437 900000 222857 900000 48583 7561 237859 900000 160087 210213 93108 194522 35881 304041 152154 94796 900000 10914 64872 110506 9248 56117 54900 45214 64150 53045 108598 64211 37447 104613 126818 45940 48091 77505 113514 10983 23477 25334 30464 35468 18571 -479 14946 15900 26322 13371 -1835 16857 14101 24991 41768 3666 14143 5096 -2463 10870 14348 -6982 4136 -6630 -5925 3180 -18558 -2300 3843 2918 -5321 2102 1133 1002 -3126 -4976 -10831 1472 -10778 -9554 -691 -1557 2459 -177 1230 -1365 -4864 -2248 -3342 -3375 -3861 -750 -2346 -663 588 2198 -38 -2055 -1411 95 -1676 730 -577 11 3986 1466 4840 4420 1349 2492 -1120 2861 -2296 532 1179 1540 -515 913 -365 -550 9 -42 948 -514 -332 -1245 -1819 -13270 1155 2256 975 -4491 583 1627 709 -4169 -916 -2730 -456 900000 1451 -932 2043 1836 1960 900000 1721 900000 1821 900000 1299 292 1944 900000 1308 1718 1452 1589 1386 2484 2148 2253 900000 584 2217 2980 701 3164 3275 3067 3669 3424 4082 3830 2999 4445 4560 4017 4480 5763 6215 1723 3261 3416 3784 4029 2458 -79 2333 2780 4624 2819 -448 3402 3019 5207 8225 1144 4091 1574 -765 2673 3072 -1751 960 -1945 -2053 1180 -9751 -1126 1884 1535 -3217 1233 688 608 -1905 -2903 -6337 748 -6526 -6480 -504 -1345 2130 -171 1176 -1266 -4682 -1953 -2930 -3130 -3827 -772 -2435 -754 747 3055 -58 -3214 -2143 137 -2405 1042 -876 18 6280 2344 7237 6416 1951 3442 -1562 3828 -3460 882 2196 3158 -1065 1980 -854 -1372 24 -111 2517 -1367 -841 -2991 -4155 SS 20241102T123021.3Z 9072.521080 56 1 52.01 2 81.11 117.81 93.42 116.23 0.00 1 0.00 1 0 17 4.181e-01 1.858e-02 1.234e-01 3.723e-03 6.358513e-01 2.063303e-03 8.048066e-03 -6.000000e+00 2.506275e-01 224.59 -2.00 3.48 -2.00 320.96 0.00e+00 7.061266e-03 9.316524e-04 5.082085e-03 -6.000000e+00 1.113429e-02 283.18 -2.00 20.00 -2.00 320.40 0.00e+00 6.126 0.004 302.00 328.00 3 1.5683e+00 6.7477e-03 7.2333e-02 -6.0000e+00 6.1756e-01 2.9091e-01 8.7436e-03 4.2522e-02 -6.0000e+00 6.6795e-01 -4.2224e-01 7.9478e-03 2.3406e-02 -6.0000e+00 3.9918e-01 1.7423e-01 3.8530e-03 7.7368e-03 -6.0000e+00 1.7156e-01 1.3265e-04 -2.2378e-03 1.1272e-04 1.6526e-04 -6.0000e+00 1.2862e-02 -2.5876e-02 6.4599e-05 12 8 8 10 0 0 99.87 23.42 0.61 -0.02588 -0.04269 53 9 1 5 0 981.290 26.21 20.00 23.42 16.51 5.5 933.04 -224780 -111247 -93956 -107417 -131278 -133986 38471 -137388 -145020 -133030 -147187 -79265 -38881 -6835 -62353 54310 -11569 -2192 20787 28308 17798 38039 39365 -32423 -4608 6930 61874 -6157 27963 -40231 12847 -2669 12113 17854 3422 59293 -33005 7617 7027 -41 7780 5771 8296 17638 12845 23516 24353 8308 22806 17728 14070 9889 21312 18675 4554 9262 1372 10322 4132 6917 -869 4337 7368 5542 5033 -3918 3801 1322 8088 9310 4161 3036 2112 -2157 2389 -1670 -4365 -4255 -4534 -4181 -1930 -6539 -3830 -188 -172 -1147 -65 1078 825 -802 -1581 -3780 -1671 -4113 -2110 -625 -7 535 332 341 -1397 -1937 -2253 -986 -1105 -1247 -939 -666 778 1052 1638 486 -19 -282 -177 -951 117 197 472 805 513 1994 2169 1035 1115 -207 527 -882 40 367 -177 -706 -81 -443 -45 251 256 780 -125 -77 -572 -1129 -10385 -1946 -1488 -1914 -2729 -2697 140 -3083 -3781 -3249 -4323 -1308 -526 -86 -1708 556 -260 -54 438 575 407 704 729 -1283 -144 199 1033 -199 639 -1957 429 -123 550 817 178 1743 -2624 465 513 -4 740 601 885 1767 1376 2313 2431 1004 2492 2175 1966 1594 3342 3241 959 1920 313 2136 889 1439 -203 1056 1963 1670 1600 -1352 1209 446 2786 3576 1841 1415 982 -990 960 -634 -1608 -1600 -1911 -2063 -1085 -3975 -2484 -125 -123 -880 -51 871 667 -636 -1186 -2732 -1152 -3023 -1697 -573 -8 584 390 399 -1575 -2010 -2392 -1040 -1239 -1362 -1089 -833 1057 1586 2485 783 -30 -444 -266 -1398 172 303 765 1342 853 3173 3336 1552 1741 -318 795 -1429 67 674 -332 -1423 -172 -999 -100 583 611 1875 -299 -178 -1343 -2540 SS 20241102T124306.9Z 9072.529941 61 1 51.76 2 78.96 120.04 91.32 118.19 0.00 1 0.00 1 0 17 2.932e-01 1.094e-02 2.322e-02 1.372e-03 5.507475e-01 7.383100e-04 6.661730e-03 -6.000000e+00 1.758882e-01 224.59 -2.00 3.48 -2.00 320.07 0.00e+00 2.999820e-03 2.536220e-04 2.473989e-03 -6.000000e+00 7.809770e-03 283.18 -2.00 20.00 -2.00 319.46 0.00e+00 5.034 0.002 302.00 328.00 3 1.0605e+00 2.1714e-03 5.8183e-02 -6.0000e+00 4.3340e-01 8.1124e-02 2.6514e-03 3.1020e-02 -6.0000e+00 4.6865e-01 -1.2137e-01 2.2851e-03 1.5948e-02 -6.0000e+00 2.8008e-01 4.3707e-02 1.1708e-03 4.7809e-03 -6.0000e+00 1.2046e-01 6.9491e-04 -1.3531e-03 4.1856e-05 7.7245e-05 -6.0000e+00 9.0175e-03 -2.8285e-02 1.6686e-04 12 8 8 10 0 0 96.08 23.42 0.51 -0.02828 -0.03845 144 23 1 5 0 359.430 26.21 20.00 23.42 16.79 5.6 935.29 -146121 -85669 -93014 -99382 -105969 -88395 -87422 -92842 -90473 -96044 -69420 -61867 -28290 -48997 -38329 -15349 -17770 -15655 -3518 -13778 -11092 -7869 -6740 -9965 -13772 -8426 -6335 -8413 -11055 -18216 -5715 -8299 -2976 -4673 -5710 -2890 -7537 -4001 -4 -832 1484 1435 2557 4755 4307 6091 3327 1812 4110 3923 3392 3680 4857 5410 2178 2822 2534 1832 1004 689 769 2360 3659 3427 2823 405 796 536 1660 3302 1568 1720 891 -50 -105 -1694 -2715 -3084 -3156 -2727 -1908 -3193 -1954 -1780 -558 -603 407 1064 838 446 -159 -805 -1001 -1442 -1108 -327 502 768 188 -435 -1000 -1585 -976 -1047 -1210 -1258 -670 -133 583 931 1012 719 273 -108 -336 -226 247 372 332 539 571 937 1096 671 559 -164 132 -41 180 -227 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