File name: Pandora75s1_EssexMD_20240606_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T072620.2Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240606_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: 20240606 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 20240606T103527.0Z 8923.441285 69 1 52.37 2 81.15 67.80 78.22 65.35 0.00 1 0.00 1 0 17 6.177e-01 2.395e-02 2.523e-01 8.953e-03 7.852815e-01 5.530372e-03 8.821613e-03 -6.000000e+00 3.866323e-01 232.44 -2.00 3.48 -2.00 321.82 0.00e+00 1.140688e-03 3.359233e-03 6.786328e-03 -6.000000e+00 2.423203e-02 286.83 -2.00 20.00 -2.00 321.28 0.00e+00 6.144 0.004 302.00 328.00 3 3.0736e+00 2.2253e-02 8.3361e-02 -6.0000e+00 9.7367e-01 3.8240e-01 3.1277e-02 6.3295e-02 -6.0000e+00 1.0619e+00 -6.3787e-01 3.0151e-02 2.5496e-02 -6.0000e+00 6.2167e-01 2.7382e-01 1.3625e-02 6.5324e-03 -6.0000e+00 2.6604e-01 2.4620e-05 -7.5859e-04 2.8620e-04 1.5142e-04 -6.0000e+00 2.0554e-02 1.1797e-03 -8.1223e-05 12 9 8 11 32 0 98.17 23.47 1.33 0.00118 -0.00452 17 3 1 5 0 3080.020 26.21 20.00 23.47 30.95 4.2 1037.81 900000 900000 900000 900000 900000 -216800 900000 -215998 -144467 900000 900000 900000 900000 -30318 900000 -164341 -22438 -138314 900000 -107555 900000 900000 900000 -64575 -15519 900000 -5213 -92845 -42071 900000 -22695 -57561 900000 -16811 63168 900000 70466 58719 900000 399161 32984 900000 159316 48981 -489 71541 5824 1209 -3210 32458 27177 1728 69533 94453 28856 135046 27761 -844 6001 6923 9413 40836 8364 6331 19222 -3239 26559 428 27065 13522 -2426 19146 -422 784 -325 9404 4915 16574 169 -5698 705 -1357 -2258 -1459 -6830 2846 -2795 2931 200 4469 -1270 3124 -656 -5268 -3863 4839 -1808 -3539 3373 390 -2501 -4331 -1175 -3555 -4857 -2902 -2224 -674 -707 1279 2694 -143 -826 -2009 -2263 3633 457 -415 -281 1321 1265 556 3308 943 -734 1131 -1895 2924 1002 -60 439 -400 -768 46 -509 -321 14 1920 -812 1221 91 -903 -1993 900000 900000 900000 900000 900000 -3940 900000 -4438 -1598 900000 900000 900000 900000 -264 900000 -6623 -248 -5356 900000 -3400 900000 900000 900000 -1480 -233 900000 -74 -3082 -831 900000 -466 -2001 900000 -478 879 900000 980 1072 900000 3470 1262 900000 1939 1831 -30 2177 349 79 -232 1778 1748 161 3627 4187 2634 4461 2751 -111 715 800 1088 3763 1207 1046 2974 -634 3902 86 4611 2997 -694 4610 -122 211 -81 1921 995 3083 42 -1778 243 -550 -1023 -705 -3729 1499 -1633 1659 116 2397 -680 1521 -327 -2908 -2381 3197 -1358 -3096 2991 359 -2243 -3611 -968 -2985 -3964 -2467 -2005 -650 -760 1522 3523 -206 -1217 -2941 -3202 4729 622 -595 -424 2010 1900 811 4522 1274 -972 1428 -2452 3842 1517 -104 770 -763 -1569 100 -1184 -782 36 4726 -2028 2849 201 -1905 -4155 SS 20240606T104851.2Z 8923.450592 74 1 51.55 2 78.73 69.76 75.92 67.12 0.00 1 0.00 1 0 17 4.735e-01 1.608e-02 2.087e-01 5.601e-03 6.686624e-01 3.242391e-03 7.721128e-03 -6.000000e+00 2.914029e-01 232.44 -2.00 3.48 -2.00 321.19 0.00e+00 1.930832e-03 1.610438e-03 4.152618e-03 -6.000000e+00 1.528942e-02 286.84 -2.00 20.00 -2.00 320.57 0.00e+00 4.941 0.002 302.00 328.00 3 3.6165e+00 1.1183e-02 6.4058e-02 -6.0000e+00 7.3118e-01 6.1795e-02 1.5387e-02 4.4343e-02 -6.0000e+00 7.9151e-01 -1.3400e-01 1.5085e-02 2.0693e-02 -6.0000e+00 4.6786e-01 4.9684e-02 7.0902e-03 5.1337e-03 -6.0000e+00 1.9565e-01 5.1380e-05 -6.3622e-04 1.7501e-04 1.0377e-04 -6.0000e+00 1.5198e-02 9.3602e-04 1.7200e-05 12 8 8 10 0 0 90.45 23.47 1.36 0.00094 -0.00384 21 3 1 5 0 2454.540 26.21 20.00 23.47 32.02 4.2 1045.21 -218300 -43424 900000 900000 900000 -167367 900000 -199921 -238438 900000 -37000 900000 900000 900000 -64928 -110743 -84940 -76115 -15153 -80128 900000 900000 19608 32753 -48504 167755 -24056 -60591 -57140 -71631 -13457 -15117 54030 -21203 -12560 30337 11030 8161 89487 70468 -9926 46206 36767 25379 -14707 25830 8852 -65 9205 13855 -7152 -5298 11378 27282 8638 29472 4055 -4552 -3495 -4582 6216 14203 5681 344 4462 442 -167 -1311 7217 4918 2328 6981 358 -5278 -1420 1654 2058 2218 -2621 -5806 -2003 -3965 -2358 -479 -2916 776 -1211 1192 987 729 1294 1705 -1234 -1613 -1431 1632 480 -674 2165 241 -1312 -2551 -1768 -627 -1636 -2343 -1798 -227 264 872 2537 330 -370 -1012 -886 2346 62 -708 -319 548 908 430 1682 750 -26 -506 -659 1807 620 -516 -366 -869 -710 -169 -184 74 251 988 153 557 -632 -37 -926 -2596 -237 900000 900000 900000 -1493 900000 -2972 -5908 900000 -202 900000 900000 900000 -772 -2525 -1726 -1584 -207 -2228 900000 900000 224 357 -1296 915 -551 -1982 -1807 -2812 -345 -470 972 -878 -479 761 367 329 1951 2228 -801 2317 2145 1716 -1515 1816 758 -6 858 1329 -940 -765 1538 3436 1403 4081 747 -918 -686 -902 1135 2617 1285 92 1207 125 -47 -391 2172 1719 921 2770 151 -2244 -535 549 641 700 -965 -2586 -1003 -2313 -1357 -290 -1939 530 -887 876 726 520 863 1174 -850 -1050 -1034 1318 454 -731 2466 281 -1471 -2653 -1699 -596 -1660 -2539 -2060 -276 321 1173 3686 517 -587 -1571 -1310 3253 88 -1063 -503 884 1451 670 2498 1083 -36 -687 -885 2487 961 -904 -647 -1654 -1428 -359 -416 175 566 2241 347 1301 -1414 -78 -1937 SS 20240606T105524.3Z 8923.455142 77 1 51.56 2 77.54 70.71 74.78 67.98 0.00 1 0.00 1 0 17 3.911e-01 1.527e-02 1.432e-01 3.728e-03 6.079859e-01 2.059972e-03 7.581307e-03 -6.000000e+00 2.384047e-01 232.44 -2.00 3.48 -2.00 320.75 0.00e+00 5.570288e-03 8.758151e-04 4.774238e-03 -6.000000e+00 1.093022e-02 286.84 -2.00 20.00 -2.00 320.08 0.00e+00 4.503 0.002 302.00 328.00 3 3.4071e+00 6.6258e-03 5.8690e-02 -6.0000e+00 5.9710e-01 1.1544e-01 8.4054e-03 4.0484e-02 -6.0000e+00 6.4516e-01 -2.1291e-01 7.3529e-03 2.0123e-02 -6.0000e+00 3.8420e-01 8.2883e-02 3.5945e-03 5.5767e-03 -6.0000e+00 1.5967e-01 1.0072e-04 -1.9342e-04 1.1386e-04 1.2907e-04 -6.0000e+00 1.2272e-02 3.8802e-04 -2.4571e-05 12 9 8 11 8 0 97.95 23.46 0.63 0.00039 -0.00107 35 6 1 5 0 1472.960 26.21 20.00 23.46 32.29 4.1 1046.21 -190193 -125458 900000 -27348 900000 -188246 -10007 -174587 -138242 -89867 -102991 -83707 93500 48108 -3818 -78308 -55397 -36688 -38499 -69939 55642 -3943 8634 -16063 -22677 10343 -33624 -42013 -41239 40452 1524 -18087 17952 -22898 -7533 6047 1106 1088 14732 12282 5121 12765 8009 14446 3523 11265 7288 5866 1215 10032 2645 -1234 6457 14152 6290 12358 3844 -1097 588 -352 3736 5290 6041 5382 4611 1911 3072 1533 4916 5458 1316 4207 545 -1377 -536 -1837 -2419 -472 -3621 -3828 -2378 -1821 -2739 -2039 -2771 -58 252 1478 660 229 723 -38 -1005 -2530 -2177 -79 154 275 859 -865 -1581 -1748 -1964 -1835 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