File name: Pandora75s1_EssexMD_20241027_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241028T045441.5Z 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_20241027_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: 20241027 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 20241027T120107.4Z 9066.500780 195 1 50.70 2 84.95 111.42 36.06 139.79 0.00 1 0.00 1 0 33 8.420e-01 7.710e-02 3.249e-01 2.619e-02 8.563553e-01 1.531683e-02 9.584772e-03 -6.000000e+00 5.145158e-01 225.10 -2.00 3.48 -2.00 321.75 0.00e+00 -1.309105e-03 5.008092e-03 2.728821e-03 -6.000000e+00 2.348310e-02 283.91 -2.00 20.00 -2.00 321.14 0.00e+00 9.748 0.016 302.00 328.00 3 1.9838e-01 4.8844e-02 1.0740e-01 -6.0000e+00 1.2727e+00 1.9635e+00 5.7058e-02 4.4079e-02 -6.0000e+00 1.3819e+00 -2.1271e+00 3.1943e-02 2.1989e-02 -6.0000e+00 8.1798e-01 7.2219e-01 1.7132e-02 6.9995e-03 -6.0000e+00 3.4693e-01 1.0080e-05 3.9497e-03 7.8010e-04 1.1859e-04 -6.0000e+00 2.6381e-02 -2.2467e-02 4.4489e-05 12 9 8 11 32 0 -4.91 23.07 2.61 -0.02247 0.00721 20 3 1 5 0 2534.670 25.90 19.99 23.07 14.52 5.5 920.16 587 109818 61986 241761 -20448 52162 900000 40493 -37382 -35907 -11559 21229 405136 900000 -14061 146081 136996 74275 900000 140359 15031 91627 162364 84368 -3761 118499 900000 305098 84176 -54764 16518 59698 98407 105485 177054 900000 -67132 17858 14281 20512 21483 45786 78118 107312 71021 228089 95869 -23885 98627 46826 37977 58945 900000 900000 -19577 50998 8743 46850 115250 11573 -8513 56914 1501 7911 5780 -73823 -1761 11807 16914 472134 15615 17148 6250 -6794 49051 31186 -7750 7720 14685 -30333 47356 -52004 21841 50427 27563 -12218 21688 18640 9758 1045 -6739 -14946 33824 -16264 -2382 28289 15779 24756 4744 12313 -6404 -8939 7493 15448 11975 4695 2973 -1624 1326 2693 10363 2493 2026 -6690 -4428 -4068 2065 1815 -4657 4195 -3266 8790 -235 -5267 2575 -10453 3860 -13109 1714 7081 1420 -5171 582 -1583 -846 703 354 5629 -1089 -626 538 234 132 8169 6718 6166 -3390 3658 900000 3012 -5958 -5418 -1327 1850 10332 900000 -2510 6096 6352 6372 900000 5532 1882 4886 4141 4694 -497 4396 900000 7781 3318 -9015 1494 3875 4563 4402 4515 900000 -14319 1822 1722 2568 2789 4671 5615 5474 4940 5817 4890 -4043 5031 4234 4050 5466 900000 900000 -4493 5794 1480 5105 6466 1583 -1441 5951 302 1614 1223 -30979 -400 2469 3710 12041 4022 4329 1658 -1854 6755 4613 -1640 1496 3071 -11758 9783 -32626 7074 12989 9419 -6481 8407 7463 4156 458 -2991 -6937 9834 -8586 -1270 13059 9618 15531 3823 8981 -5210 -6748 4529 8825 7513 3364 2343 -1482 1336 3056 12104 3331 2749 -9708 -6109 -5571 2749 2550 -7292 6056 -4940 11343 -323 -7361 3244 -14795 4893 -21999 2868 12804 3016 -12740 1460 -3974 -2251 1918 990 15008 -3024 -1636 1433 596 SS 20241027T121250.0Z 9066.508912 198 1 51.55 2 82.86 113.37 34.72 144.13 0.00 1 0.00 1 0 17 4.279e-01 2.330e-02 1.491e-01 4.970e-03 8.229933e-01 2.863370e-03 9.919063e-03 -6.000000e+00 2.570454e-01 225.10 -2.00 3.48 -2.00 321.78 0.00e+00 9.987461e-03 1.584658e-03 6.506156e-03 -6.000000e+00 1.143074e-02 283.90 -2.00 20.00 -2.00 321.30 0.00e+00 7.403 0.007 302.00 328.00 3 3.8191e-01 1.0755e-02 8.9726e-02 -6.0000e+00 6.3394e-01 8.8162e-01 1.3857e-02 5.2562e-02 -6.0000e+00 6.8533e-01 -1.2220e+00 1.1378e-02 2.8875e-02 -6.0000e+00 4.0960e-01 4.9727e-01 5.3398e-03 1.0693e-02 -6.0000e+00 1.7597e-01 9.8288e-05 -2.0128e-03 1.4292e-04 2.7219e-04 -6.0000e+00 1.3166e-02 -2.4075e-02 1.4037e-04 12 9 8 11 8 0 -4.25 23.07 0.67 -0.02408 -0.03920 96 16 1 5 0 536.900 25.90 19.99 23.07 15.50 5.5 927.53 -163623 -82303 5665 -78868 -131848 -66495 -90751 -103915 -121639 -112899 -123905 -74955 -28570 -72992 -49395 59291 29751 18626 91785 32030 20713 17014 50861 -8174 -18558 29613 175052 54144 62784 -61983 26759 7753 46623 44879 34507 69759 414 26334 56741 9112 37707 29963 23808 39364 39628 63647 55388 24010 61170 46399 30709 42356 48163 58509 14250 26323 23887 30516 24484 13289 18512 5232 14537 23065 16263 -1200 12567 6517 16227 21422 12204 12598 4759 1228 7353 4516 -2603 -5447 -2413 -4535 -822 -5623 -139 2367 -74 -2555 -245 1516 -118 -1456 -1909 -5696 -923 -5799 -6209 -2295 -374 88 -932 -683 -1922 -3579 -2552 -1918 -3437 -3575 -2350 -1802 -583 2 1089 -168 -515 -929 -652 -1774 301 -136 72 1906 1363 3626 3251 2082 1897 159 907 -1190 632 687 628 -6 60 -306 102 599 384 415 -111 -426 -1353 -1861 -8921 -2466 72 -2189 -5402 -1260 -2079 -2701 -3805 -3233 -3985 -1618 -478 -2444 -1632 784 590 443 1092 691 484 390 807 -234 -589 574 848 763 802 -3004 637 266 1232 1265 1034 1555 19 1059 1952 578 1974 1786 1558 2232 2247 2869 2765 1699 3142 2968 2530 3428 3991 4679 1851 3087 2871 3342 2729 1617 2198 778 2240 3666 2940 -260 2400 1386 3444 4859 3294 3486 1386 344 1746 994 -587 -1323 -653 -1501 -309 -2548 -65 1165 -40 -1486 -145 901 -71 -852 -1055 -3114 -479 -3384 -4174 -1754 -301 81 -940 -690 -1852 -3180 -2070 -1540 -2956 -3270 -2279 -1906 -685 2 1609 -247 -774 -1380 -1020 -2757 467 -204 112 3000 2116 5771 5006 3134 2768 231 1310 -1899 1038 1287 1310 -13 136 -739 261 1597 1048 1139 -303 -1103 -3301 -4298 SS 20241027T122321.8Z 9066.516224 201 1 51.54 2 81.01 115.15 33.64 148.25 0.00 1 0.00 1 0 17 5.470e-01 1.578e-02 4.311e-02 1.817e-03 7.180877e-01 1.019829e-03 9.186718e-03 -6.000000e+00 3.287051e-01 225.10 -2.00 3.48 -2.00 321.05 0.00e+00 5.293378e-03 4.786193e-04 6.558681e-03 -6.000000e+00 1.461374e-02 283.90 -2.00 20.00 -2.00 320.51 0.00e+00 6.059 0.004 302.00 328.00 3 2.8684e-01 3.3873e-03 7.6773e-02 -6.0000e+00 8.1067e-01 2.8340e-01 4.4883e-03 5.3129e-02 -6.0000e+00 8.7628e-01 -4.2356e-01 4.2166e-03 2.6080e-02 -6.0000e+00 5.2373e-01 1.7145e-01 2.0259e-03 6.9621e-03 -6.0000e+00 2.2508e-01 4.6695e-04 -1.4078e-03 5.2238e-05 1.7992e-04 -6.0000e+00 1.6828e-02 -2.5362e-02 1.8668e-04 12 8 8 10 0 0 80.43 23.07 0.51 -0.02536 -0.03594 197 32 1 5 0 261.600 25.90 20.00 23.07 16.54 5.5 933.69 -229862 -175358 -169884 -135969 -202899 -165534 -166813 -165652 -166634 -172501 -165615 -140239 -95540 -101099 -77208 -40484 -39828 -46773 6953 -24984 -40789 -22003 -36425 -21669 -34242 -12614 -17382 -23023 -33742 -46734 -15600 -18359 4545 -8503 -59 -2493 -7395 -6897 8971 -457 8146 7063 10752 12901 10904 14636 11495 10801 13445 13126 9671 15300 12917 14971 9358 7861 7806 7759 5795 4811 4986 3756 7119 7787 5817 2083 4026 3101 5343 7015 4039 4340 2793 885 421 -2411 -4165 -4139 -3550 -3154 -1369 -3202 -1500 -1257 -214 -377 528 937 863 129 -475 -1940 -1967 -2938 -2738 -1433 -387 142 -85 -784 -1263 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