File name: Pandora75s1_EssexMD_20240723_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240724T052015.0Z 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 v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240723_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: 20240723 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 20240723T105049.1Z 8970.451958 208 1 52.06 2 81.54 71.14 76.44 235.94 0.00 1 0.00 1 0 17 5.329e-01 2.190e-02 2.104e-01 4.668e-03 8.056944e-01 2.746166e-03 9.866539e-03 -6.000000e+00 3.295052e-01 232.47 -2.00 3.48 -2.00 321.54 0.00e+00 2.999934e-03 1.468501e-03 7.304018e-03 -6.000000e+00 1.465275e-02 290.67 -2.00 20.00 -2.00 320.97 0.00e+00 6.387 0.005 302.00 328.00 3 1.3655e+00 1.0078e-02 8.5555e-02 -6.0000e+00 8.2519e-01 6.1821e-01 1.3744e-02 6.5634e-02 -6.0000e+00 8.8587e-01 -8.7619e-01 1.1873e-02 2.8550e-02 -6.0000e+00 5.2854e-01 3.5518e-01 5.5092e-03 6.4228e-03 -6.0000e+00 2.2555e-01 9.7869e-05 -1.8987e-03 1.3234e-04 1.5702e-04 -6.0000e+00 1.6431e-02 -3.2351e-02 1.9772e-04 12 8 8 10 0 0 90.55 23.67 0.88 -0.03235 -0.04662 52 8 1 5 0 1001.070 26.41 19.99 23.67 30.32 4.5 1027.23 -123104 -79727 -108076 123296 -206123 -33589 -129685 -121248 -204336 -150307 -161208 -119046 -22193 -66111 -84451 2327 17279 -35887 95269 -39575 225317 127535 11139 6866 1303 97624 79066 67145 64705 -62663 15779 -24047 3143 8531 23343 109303 -12297 21678 34635 -24355 21543 3276 33481 20760 33456 55790 37368 32626 30412 41226 27737 18996 35988 47420 16807 17571 11271 20577 18703 11118 2119 11355 4990 19954 12215 -7701 11338 7593 14640 17331 6942 7889 3470 164 2505 9222 -2269 -6172 2105 -3242 595 -9910 743 -37 999 -1730 2100 1635 -491 -348 -2070 -6120 -979 -4183 -3712 -897 -1090 -187 -54 -1425 -1895 -2627 -2121 -2739 -1820 -2801 -770 -1816 -635 942 374 489 277 -298 -355 -155 128 -169 112 1524 1272 1547 3437 1335 1242 -340 1203 940 493 118 152 -894 -380 -585 -17 405 529 952 -51 -87 -1086 -1617 -2038 -990 -1878 561 -8273 -222 -2254 -2057 -8540 -3856 -4803 -2562 -220 -1286 -2446 34 243 -936 710 -1163 1026 686 194 131 27 808 785 795 766 -2824 381 -1029 117 322 744 1443 -582 839 1403 -2095 1314 256 2012 1436 2041 2743 2245 2124 2132 2796 2386 1989 3489 4446 2272 2447 1703 2800 2503 1564 333 1768 936 3615 2547 -1973 2426 1770 3505 4575 2231 2614 1183 54 734 2279 -595 -1736 617 -1192 248 -5282 394 -21 551 -1040 1270 1017 -311 -212 -1328 -3881 -582 -2719 -2478 -682 -973 -190 -60 -1605 -2028 -2582 -1915 -2473 -1717 -2833 -815 -2116 -816 1236 552 772 447 -475 -547 -232 194 -269 187 2569 2118 2475 5196 1988 1786 -482 1678 1404 839 212 301 -1943 -877 -1345 -42 1031 1376 2491 -133 -216 -2554 -3880 SS 20240723T110517.1Z 8970.462004 213 1 51.67 2 78.87 73.29 78.67 238.54 0.00 1 0.00 1 0 17 4.667e-01 1.203e-02 3.937e-02 1.632e-03 6.668412e-01 9.229091e-04 8.167946e-03 -6.000000e+00 2.886011e-01 232.47 -2.00 3.48 -2.00 320.62 0.00e+00 2.336596e-03 3.865686e-04 4.324535e-03 -6.000000e+00 1.283315e-02 290.67 -2.00 20.00 -2.00 319.94 0.00e+00 4.996 0.002 302.00 328.00 3 1.1539e+00 2.9415e-03 6.4417e-02 -6.0000e+00 7.2275e-01 1.3967e-01 3.8077e-03 4.4331e-02 -6.0000e+00 7.7587e-01 -2.1794e-01 3.3937e-03 1.9895e-02 -6.0000e+00 4.6291e-01 8.1552e-02 1.6747e-03 5.0078e-03 -6.0000e+00 1.9757e-01 5.5346e-04 -1.1608e-03 4.7367e-05 9.1024e-05 -6.0000e+00 1.4389e-02 -3.2847e-02 2.0771e-04 12 8 8 10 0 0 60.61 23.67 0.55 -0.03285 -0.04157 151 25 1 5 0 342.120 26.32 20.00 23.67 31.39 4.5 1034.97 -157967 -147848 -148797 -151109 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812 848 1412 1894 1221 1056 838 1095 515 579 355 857 1299 1661 1234 164 804 110 1183 1500 1437 1368 814 -84 599 -347 -1117 -1720 -1405 -1436 -1222 -2082 -1171 -894 -410 -91 646 988 839 511 -32 -797 -1123 -1539 -1090 -601 44 285 -72 -804 -1723 -2224 -1379 -1276 -1553 -1688 -1297 -352 648 1709 1266 1071 674 -97 -383 -116 628 413 810 875 826 1532 2076 1142 798 -518 -34 617 -139 137 -270 -1075 -829 -367 -254 281 991 981 393 -283 -1147 -1850 SS 20240723T111058.7Z 8970.465957 216 1 51.56 2 77.82 74.13 79.57 239.55 0.00 1 0.00 1 0 17 3.780e-01 1.096e-02 2.605e-02 1.253e-03 6.204749e-01 7.027320e-04 7.513759e-03 -6.000000e+00 2.337704e-01 232.47 -2.00 3.48 -2.00 320.30 0.00e+00 2.029033e-03 2.635086e-04 3.262175e-03 -6.000000e+00 1.039516e-02 290.67 -2.00 20.00 -2.00 319.59 0.00e+00 4.596 0.002 302.00 328.00 3 1.1259e+00 2.1374e-03 5.8327e-02 -6.0000e+00 5.8544e-01 8.9205e-02 2.6705e-03 3.7908e-02 -6.0000e+00 6.2847e-01 -1.4884e-01 2.3056e-03 1.7467e-02 -6.0000e+00 3.7497e-01 5.4117e-02 1.1657e-03 4.5523e-03 -6.0000e+00 1.6003e-01 8.7675e-04 -1.1195e-03 3.7128e-05 7.3958e-05 -6.0000e+00 1.1656e-02 -3.2910e-02 1.9426e-04 12 8 8 10 0 0 72.62 23.67 0.44 -0.03291 -0.04132 194 32 1 5 0 265.750 26.41 19.99 23.67 31.93 4.5 1039.01 -142053 -124442 -117479 -113182 -148599 -126283 -113262 -120718 -120431 -101290 -110861 -87850 -67019 -69427 -59686 -38335 -28061 -25141 -14693 -15496 -12784 -18038 -17262 -24082 -19941 -15045 -16107 -11258 -15264 -22724 -11339 -13243 -9104 -8629 -7903 -6220 -8790 -685 -246 937 3164 2126 3817 5253 5160 5434 5315 3826 2802 3626 3056 4260 4603 5591 3442 3319 2613 2458 1520 1895 1056 3101 3457 4547 2777 50 753 322 1707 2958 1885 2111 1210 144 -25 -1615 -2398 -3542 -2647 -2207 -2103 -2631 -1510 -1280 -836 -349 621 1032 962 479 -23 -983 -1028 -1312 -1384 -259 313 286 110 -588 -1256 -1828 -1056 -1064 -1169 -1257 -783 -206 655 884 876 568 333 -1 -219 -33 320 299 529 416 656 872 957 765 454 -104 -33 217 52 -163 -220 -591 -391 -32 -81 13 427 406 66 -50 -442 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