File name: Pandora75s1_EssexMD_20240522_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240523T050723.5Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240522_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: 20240522 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 20240522T103200.1Z 8908.438890 195 1 18.15 2 82.79 69.32 108.61 258.25 0.00 1 0.00 1 0 17 7.092e-01 6.151e-02 4.042e-01 3.124e-02 9.020476e-01 2.000802e-02 1.320392e-02 -6.000000e+00 4.564772e-01 231.62 -2.00 3.48 -2.00 321.96 0.00e+00 -4.037370e-02 9.461555e-03 1.288006e-02 -6.000000e+00 2.344459e-02 285.37 -2.00 20.00 -2.00 321.40 0.00e+00 7.337 0.007 302.00 328.00 3 2.3147e+00 7.3727e-02 9.9481e-02 -6.0000e+00 1.1526e+00 1.2632e+00 9.3901e-02 7.0762e-02 -6.0000e+00 1.2553e+00 -1.8199e+00 6.4065e-02 6.8064e-02 -6.0000e+00 7.3508e-01 7.1495e-01 2.9914e-02 3.9118e-02 -6.0000e+00 3.0833e-01 1.4612e-05 -2.5685e-03 9.7144e-04 7.7176e-04 -6.0000e+00 2.3500e-02 -2.9159e-02 -1.0879e-04 12 9 9 12 1 1 91.93 23.54 1.03 -0.02916 -0.04846 4 2 1 5 0 3629.420 26.32 20.00 23.54 25.99 4.2 1006.94 133167 65100 900000 900000 -43336 60629 280785 900000 -84087 126658 -26883 900000 338425 900000 5267 900000 137817 -11097 900000 900000 900000 900000 64326 144539 52104 900000 900000 233681 115041 -3121 38977 95004 900000 2649 900000 900000 -46871 900000 290996 -4924 20648 31478 14894 67741 51939 65424 900000 40252 41471 900000 88556 -15048 900000 900000 4709 39987 6503 40664 63197 29984 72289 102802 55959 22334 4812 -19052 -4732 11329 134147 170767 -23768 13822 -20371 60065 35212 82107 -25355 -3644 -6181 -2118 45087 -44465 6602 9379 27543 -4895 12027 3099 23502 9604 -8367 -3576 10002 -13696 -11555 -1469 10946 14036 14494 4308 -6375 -8096 6407 4007 -8455 -9946 3418 11728 -11290 9677 3063 -2818 -3758 -1634 -3076 -1881 5610 -183 -7860 2336 -1959 2453 14563 -3690 1883 -2500 5985 3962 -5141 3563 34 -1328 1157 -1819 -1418 1520 1032 4638 -833 -663 -13 -4331 4039 2139 900000 900000 -2629 1839 8516 900000 -12326 3841 -2891 900000 10264 900000 392 900000 4180 -918 900000 900000 900000 900000 2306 4384 3017 900000 900000 7087 3489 -198 1612 2881 900000 175 900000 900000 -5040 900000 8825 -638 2334 3298 1766 4296 3437 3427 900000 2442 2515 900000 4297 -2074 900000 900000 771 4972 1183 5180 5942 3546 5262 5612 5261 3184 846 -4218 -919 1993 7730 7769 -8290 3437 -6981 8562 5767 7470 -6306 -740 -1425 -546 8478 -23600 2343 3499 9189 -2390 5143 1466 8910 3990 -3908 -1529 3762 -7020 -6588 -878 6673 9407 10418 3436 -5355 -6335 4042 2601 -6590 -8356 2685 9248 -12566 9978 3809 -4025 -5087 -2369 -4403 -2607 7299 -262 -11572 3485 -2995 3452 17534 -5170 2421 -3283 7243 5275 -8560 6213 62 -2698 2473 -4323 -3605 3939 2752 12007 -2233 -1677 -31 -9934 SS 20240522T104337.7Z 8908.446965 198 1 51.49 2 80.67 71.05 110.75 259.86 0.00 1 0.00 1 0 17 5.342e-01 2.008e-02 1.471e-01 4.224e-03 7.886302e-01 2.473329e-03 9.580254e-03 -6.000000e+00 3.292018e-01 231.62 -2.00 3.48 -2.00 321.49 0.00e+00 2.071126e-03 1.284463e-03 7.114073e-03 -6.000000e+00 1.436425e-02 285.37 -2.00 20.00 -2.00 320.98 0.00e+00 5.864 0.003 302.00 328.00 3 1.7802e+00 8.8069e-03 8.0772e-02 -6.0000e+00 8.2422e-01 4.3373e-01 1.2226e-02 6.4342e-02 -6.0000e+00 8.8630e-01 -6.9098e-01 1.1443e-02 2.9731e-02 -6.0000e+00 5.2740e-01 2.8062e-01 5.2913e-03 6.9404e-03 -6.0000e+00 2.2419e-01 1.1380e-04 -1.5650e-03 1.2156e-04 1.6417e-04 -6.0000e+00 1.6465e-02 -3.3249e-02 1.3686e-04 12 8 8 10 0 0 72.44 23.55 0.78 -0.03325 -0.04501 59 10 1 5 0 872.650 26.32 20.00 23.55 26.86 4.2 1013.29 -155319 -147498 -152773 -92454 -180774 -139182 -100623 -150389 -223374 -201445 -198376 -113097 -100048 -42490 -124491 -11739 -42466 -35034 62439 -10333 -29716 56495 -35394 -16534 -28058 3547 67285 91567 -28417 -57612 6853 -41882 -78 -5743 -1741 63010 -20092 63133 23592 -2554 25718 -1017 17204 11208 23387 23311 39816 20378 27713 28117 13854 21270 27272 45014 11275 12560 9265 20565 14979 3100 4991 3457 6155 11276 4711 4914 3548 3887 11216 16611 7630 8644 5868 3611 3030 4327 -2097 -2876 -7832 -4795 -309 -8610 -791 1433 1287 -567 2066 2329 1337 -864 -2404 -2974 -1340 -4165 -4140 -565 -75 902 65 -1066 -2114 -3750 -2272 -2179 -2186 -2604 -1148 -1389 -894 794 1230 90 -456 -572 -405 -266 -395 575 320 1210 970 2488 2511 1396 971 730 700 510 -180 -21 19 -327 -325 -243 -164 324 510 1131 -403 -24 -1119 -1623 -2152 -2209 -2574 -831 -3588 -1720 -867 -2309 -7779 -6035 -6091 -1652 -1573 -477 -3962 -145 -811 -682 491 -174 -612 487 -782 -322 -651 69 693 717 -726 -2112 155 -1846 -3 -218 -62 1168 -919 1456 972 -162 1388 -77 1134 799 1484 1498 2214 1427 1906 2085 1318 2103 2797 4209 1574 1806 1408 2770 2067 471 763 585 1149 2243 1065 1117 827 949 2814 4482 2473 2891 1989 1177 904 1151 -564 -805 -2610 -1843 -134 -4653 -437 756 727 -347 1287 1481 856 -545 -1449 -1883 -824 -2536 -2857 -440 -68 928 74 -1219 -2309 -3794 -2096 -2002 -2121 -2692 -1250 -1649 -1078 1065 1831 144 -750 -923 -629 -402 -607 914 536 2060 1633 3974 3863 2094 1412 1035 989 772 -309 -38 37 -707 -698 -558 -401 825 1326 2953 -1053 -59 -2637 -3630 SS 20240522T105333.3Z 8908.453858 203 1 51.61 2 78.85 72.51 112.59 261.24 0.00 1 0.00 1 0 17 5.143e-01 1.303e-02 5.998e-02 2.112e-03 6.923445e-01 1.197441e-03 8.458904e-03 -6.000000e+00 3.170455e-01 231.62 -2.00 3.48 -2.00 320.89 0.00e+00 2.352441e-03 5.311751e-04 5.188915e-03 -6.000000e+00 1.383173e-02 285.38 -2.00 20.00 -2.00 320.31 0.00e+00 4.988 0.002 302.00 328.00 3 1.6136e+00 3.8929e-03 6.6552e-02 -6.0000e+00 7.9380e-01 1.3356e-01 5.1493e-03 4.8705e-02 -6.0000e+00 8.5352e-01 -2.5958e-01 4.8834e-03 2.2672e-02 -6.0000e+00 5.0789e-01 1.0014e-01 2.3640e-03 5.6274e-03 -6.0000e+00 2.1595e-01 3.5020e-04 -9.9261e-04 6.1698e-05 1.2288e-04 -6.0000e+00 1.5852e-02 -3.3886e-02 1.7883e-04 12 8 8 10 0 0 73.93 23.55 0.56 -0.03389 -0.04135 114 19 1 5 0 452.700 26.32 20.00 23.55 27.92 4.1 1020.16 -174183 -181614 -157529 -151152 -184069 -166105 -140019 -155736 -165058 -175877 -175550 -115452 -62258 -100056 -105677 12696 -45567 -33713 -19936 -38461 -28528 -8818 -25687 -27825 -24828 -19197 -4914 -15233 -14995 -48040 -16981 -13303 -2480 -10789 -12861 975 -15842 -2427 -2486 -4887 -2208 2459 -999 4996 5319 6678 7851 7129 7713 8983 3402 6496 9878 11251 5947 5366 2584 5832 3360 1658 2892 3158 3952 6461 3421 788 1109 1018 3230 6233 3316 2733 2138 1422 157 -675 -1734 -4295 -4512 -3093 -1000 -3568 -1762 -937 -280 373 1249 1585 1188 -30 -731 -904 -1196 -2319 -1836 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