File name: Pandora75s1_EssexMD_20241029_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241030T045748.5Z 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_20241029_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: 20241029 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 20241029T121429.5Z 9068.510064 134 1 51.42 2 83.00 114.16 54.29 129.87 0.00 1 0.00 1 0 25 6.427e-01 4.357e-02 2.532e-01 1.265e-02 7.667502e-01 7.362087e-03 9.898944e-03 -6.000000e+00 3.957840e-01 224.93 -2.00 3.48 -2.00 321.67 0.00e+00 1.467380e-02 3.334526e-03 6.941821e-03 -6.000000e+00 1.800011e-02 283.66 -2.00 20.00 -2.00 321.16 0.00e+00 7.525 0.007 302.00 328.00 3 1.6544e+00 2.5207e-02 8.8052e-02 -6.0000e+00 9.8036e-01 1.2753e+00 2.9671e-02 4.4231e-02 -6.0000e+00 1.0675e+00 -1.6426e+00 1.8345e-02 2.4687e-02 -6.0000e+00 6.3019e-01 6.5539e-01 9.3980e-03 1.1515e-02 -6.0000e+00 2.6506e-01 2.3233e-05 -1.5956e-03 3.8289e-04 3.1341e-04 -6.0000e+00 2.0224e-02 -2.6047e-02 1.9513e-04 12 8 8 10 0 0 97.07 23.33 0.56 -0.02605 -0.03804 24 4 1 5 0 2142.060 26.11 20.00 23.33 17.99 5.4 943.32 -66200 45072 77359 41883 -34722 69349 900000 57683 -49624 -45074 -28511 -1843 223572 245699 -18212 370587 133963 62017 900000 900000 56368 142846 160248 33693 14358 168053 900000 138630 42424 -20443 44742 17666 92095 111133 900000 900000 -11114 33877 50766 25157 21645 40063 31068 74260 55920 159422 66448 32411 104676 102254 59397 31836 104284 96282 9760 13689 37428 12181 36113 15574 -13921 32680 20939 36365 -4470 -29593 4163 25862 44673 63526 4215 13751 6637 -12192 14307 9432 -14383 3445 4828 -19471 13918 -26021 5802 13835 11231 -9658 4293 2666 -1130 4741 -11651 -12107 -1031 -15483 -7617 2094 3391 1441 964 2274 -1114 -8348 1274 111 -842 -3322 -1273 -3378 -3101 1582 2493 1180 -3579 -1325 -2506 -16 -229 -362 -114 4304 2233 4682 7339 -538 2755 -2889 6075 -5703 1211 1988 1019 -713 1185 -790 -1687 212 -492 3555 -581 -1035 -1381 -1277 -10601 2591 3176 2193 -3244 2097 900000 1615 -3834 -3130 -1596 -83 2754 3027 -1734 4565 3450 3403 900000 900000 2967 2879 2512 1773 868 2070 900000 2018 1568 -1511 2004 1207 3300 3360 900000 900000 -1008 2125 3013 2141 2036 3230 2783 4757 4271 4320 4584 3194 5158 5416 5195 3961 6680 6998 1719 2310 4887 1966 4360 2245 -2761 4428 3585 5913 -1145 -9660 964 4970 7704 10095 1303 3947 1979 -4055 3278 2033 -3721 772 1213 -7412 4441 -14072 2494 5829 5147 -5746 2311 1487 -650 2470 -6703 -6622 -498 -9155 -4738 1391 2610 1298 944 2202 -1051 -7692 985 87 -701 -3012 -1212 -3591 -3679 2030 3213 1643 -5303 -1880 -3472 -23 -310 -515 -170 6313 3296 7158 10550 -808 3872 -4188 8067 -9168 1877 3468 1990 -1530 2656 -1929 -4422 570 -1359 9516 -1594 -2716 -3407 -2970 SS 20241029T122437.5Z 9068.517101 137 1 51.87 2 81.22 115.88 52.87 132.41 0.00 1 0.00 1 0 17 4.953e-01 1.732e-02 8.670e-02 2.904e-03 6.953144e-01 1.628678e-03 9.003888e-03 -6.000000e+00 2.974803e-01 224.93 -2.00 3.48 -2.00 321.15 0.00e+00 7.757142e-03 7.816678e-04 6.641799e-03 -6.000000e+00 1.321997e-02 283.66 -2.00 20.00 -2.00 320.61 0.00e+00 6.192 0.004 302.00 328.00 3 1.0133e+00 5.4968e-03 7.6872e-02 -6.0000e+00 7.3345e-01 3.0740e-01 7.3074e-03 5.0855e-02 -6.0000e+00 7.9290e-01 -4.7168e-01 6.8387e-03 2.7513e-02 -6.0000e+00 4.7389e-01 1.9012e-01 3.2688e-03 8.7819e-03 -6.0000e+00 2.0371e-01 2.0505e-04 -1.4093e-03 8.5264e-05 2.0743e-04 -6.0000e+00 1.5237e-02 -2.6359e-02 1.7771e-04 12 8 8 10 0 0 87.29 23.33 0.78 -0.02636 -0.03695 92 15 1 5 0 563.770 26.11 19.99 23.33 18.43 5.4 945.59 -236179 -158298 -130456 -141502 -200501 -160000 -36457 -138484 -173470 -148317 -154849 -127594 -52786 -107214 -76592 -10249 -27611 -33439 34694 8520 9726 -13224 14947 -14625 -20302 -9647 18238 6766 4600 -51268 -3222 -17982 4421 5740 16541 39200 -14667 -3034 12938 -6249 15860 10502 5965 11747 17488 17019 17945 8860 15304 20436 12862 16683 21297 21275 3815 8348 5412 3658 7490 4392 2719 5178 8678 10227 6290 479 4582 2409 6306 10299 3734 3083 3174 -763 1656 -131 -4174 -4475 -2682 -4554 -2253 -5247 -698 -437 325 -1288 1099 1271 1212 -785 -746 -3160 -1788 -3786 -3383 -743 -468 559 -567 -655 -1372 -2583 -1358 -1455 -1691 -2050 -933 -1147 443 959 931 370 -301 -156 -199 -491 47 339 466 1238 1039 1792 2062 1320 496 -481 550 -749 606 375 344 -571 -80 -301 -228 13 486 608 -134 6 -797 -1196 -8025 -2934 -1981 -2368 -5574 -2801 -188 -2103 -4019 -2825 -3308 -2332 -571 -2594 -1735 -145 -533 -757 472 157 179 -303 262 -360 -552 -243 351 144 100 -2134 -99 -764 173 237 604 1132 -781 -166 718 -494 1127 847 530 1018 1461 1465 1575 886 1512 2066 1551 2154 2876 3108 701 1515 1028 701 1349 809 530 1087 1995 2589 1751 141 1302 730 2019 3584 1518 1312 1330 -313 606 -44 -1396 -1550 -1031 -2111 -1087 -2976 -416 -278 219 -937 818 968 921 -586 -523 -2150 -1178 -2675 -2683 -669 -448 603 -667 -770 -1533 -2667 -1289 -1389 -1714 -2214 -1065 -1423 599 1336 1433 604 -499 -251 -307 -740 71 537 777 2108 1754 2905 3223 2006 733 -696 785 -1156 1037 670 676 -1217 -169 -674 -543 32 1155 1461 -320 14 -1848 -2646 SS 20241029T123746.5Z 9068.526232 142 1 51.73 2 78.96 118.16 51.11 135.86 0.00 1 0.00 1 0 17 3.624e-01 1.120e-02 2.767e-02 1.352e-03 5.920161e-01 7.374147e-04 7.282117e-03 -6.000000e+00 2.176808e-01 224.93 -2.00 3.48 -2.00 320.35 0.00e+00 3.165995e-03 2.798321e-04 3.397919e-03 -6.000000e+00 9.672563e-03 283.66 -2.00 20.00 -2.00 319.75 0.00e+00 5.035 0.002 302.00 328.00 3 9.4892e-01 2.2243e-03 6.0205e-02 -6.0000e+00 5.3670e-01 7.5847e-02 2.7823e-03 3.5604e-02 -6.0000e+00 5.8017e-01 -1.3976e-01 2.5053e-03 1.7943e-02 -6.0000e+00 3.4675e-01 5.0562e-02 1.2632e-03 5.1052e-03 -6.0000e+00 1.4909e-01 7.4505e-04 -1.1825e-03 4.0518e-05 9.8055e-05 -6.0000e+00 1.1147e-02 -2.7338e-02 1.9385e-04 12 8 8 10 0 0 75.27 23.35 0.52 -0.02734 -0.03622 196 32 1 5 0 263.910 26.11 20.00 23.35 19.21 5.5 951.56 -174843 -120948 -110706 -105978 -122171 -114546 -107240 -119651 -95099 -108640 -87968 -94221 -59225 -78388 -52772 -21350 -22554 -16133 -9360 -11045 -22303 -7183 -17978 -11314 -16469 -8053 -13731 -15598 -10421 -22315 -9793 -16170 432 -8679 -3235 -5022 -7514 -2132 1477 -1065 2171 3584 1575 5855 4419 6922 3782 2613 4362 4652 2478 4783 6142 5956 3590 2743 1734 1433 1627 1705 1416 2637 3797 4541 2180 1268 815 789 1622 3331 1988 1755 1683 -326 193 -1675 -2794 -4113 -3274 -2669 -1691 -2912 -1699 -1199 -683 -390 609 968 610 638 -31 -866 -1113 -1436 -1255 -235 528 412 185 -448 -1061 -1982 -1224 -886 -1488 -1312 -634 -160 593 1013 1054 800 108 0 -282 -145 223 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