File name: Pandora75s1_EssexMD_20241203_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T083150.4Z 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_20241203_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: 20241203 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 20241203T130150.0Z 9103.542940 68 1 51.83 2 82.27 127.17 106.78 113.68 0.00 1 0.00 1 0 17 4.398e-01 2.273e-02 1.946e-01 4.309e-03 9.280585e-01 2.412242e-03 1.083881e-02 -6.000000e+00 2.583240e-01 223.27 -2.00 3.48 -2.00 322.04 0.00e+00 1.301662e-02 1.425982e-03 6.389412e-03 -6.000000e+00 1.152561e-02 279.70 -2.00 20.00 -2.00 321.57 0.00e+00 6.921 0.006 302.00 328.00 3 8.3555e-01 9.1949e-03 8.6809e-02 -6.0000e+00 6.3501e-01 9.3401e-01 1.2425e-02 5.2534e-02 -6.0000e+00 6.9203e-01 -1.3424e+00 1.1255e-02 3.0777e-02 -6.0000e+00 4.1330e-01 5.4509e-01 5.1459e-03 1.3927e-02 -6.0000e+00 1.7263e-01 8.9432e-05 -1.0110e-03 1.1520e-04 3.3193e-04 -6.0000e+00 1.3597e-02 1.3539e-02 -7.2730e-05 12 8 8 10 0 0 13.17 22.77 0.87 0.01354 0.00594 97 16 1 5 0 534.250 25.68 20.00 22.77 5.46 5.7 860.41 -204701 -104187 25674 30424 -104032 -123626 29183 -139128 -128996 -124009 -69630 -80880 48886 -63463 -42593 -3974 -40141 1645 9326 -29242 139002 20381 -47353 -14156 -58357 41462 -78043 -60877 -4123 42321 29127 3387 62545 1119 25981 56844 14661 19191 100300 23668 32658 55848 49940 69731 26066 77889 64293 33712 32436 69211 35156 43647 50975 62383 50624 40983 22051 21339 11189 15762 18016 17897 20045 22528 19893 21357 18350 19528 20150 15634 14011 19972 8776 -1752 4059 370 2893 4261 -2874 -2611 -571 -1300 162 1309 -2498 1489 3169 2857 2093 -359 -228 -5373 -2219 -6569 -4539 -1331 -1316 -1335 -204 -1853 -2266 -4078 -4958 -4731 -3136 -3002 -2438 -1592 -1059 345 2018 363 -674 -1111 -1430 -758 -806 -78 -15 774 2539 2392 2872 2620 2070 120 813 -1414 978 1338 868 396 -160 27 -248 17 531 509 -451 540 -256 -966 -2193 -11494 -2428 167 174 -1987 -2550 123 -3082 -2562 -2321 -771 -1143 243 -1285 -895 -68 -1119 33 178 -815 690 311 -1375 -292 -1850 475 -2862 -1814 -71 517 501 101 1183 41 710 1099 450 629 1686 975 1345 1924 1889 2197 1281 2324 2269 1700 1772 2850 2260 2861 3384 3958 3765 3410 2205 2080 1152 1510 1741 1918 2417 3010 2934 3168 2876 3208 3641 3324 3273 4498 2135 -436 853 73 534 827 -700 -770 -196 -519 70 601 -1264 761 1655 1523 1113 -188 -112 -2671 -1078 -3627 -2861 -884 -1040 -1221 -201 -1868 -2154 -3551 -3977 -3737 -2559 -2595 -2254 -1611 -1211 449 2686 532 -1026 -1684 -2116 -1098 -1193 -121 -24 1250 3914 3520 4037 3569 3000 174 1180 -2105 1649 2596 1755 879 -384 64 -634 46 1427 1374 -1202 1345 -643 -2280 -5124 SS 20241203T131243.2Z 9103.550500 71 1 51.79 2 80.61 129.09 104.93 115.11 0.00 1 0.00 1 0 25 6.318e-01 3.078e-02 3.169e-01 7.138e-03 8.031003e-01 4.045090e-03 1.054800e-02 -6.000000e+00 3.710434e-01 223.27 -2.00 3.48 -2.00 321.82 0.00e+00 1.685410e-02 2.310089e-03 9.943060e-03 -6.000000e+00 1.753475e-02 279.70 -2.00 20.00 -2.00 321.34 0.00e+00 5.835 0.003 302.00 328.00 3 2.7274e+00 1.5233e-02 8.2085e-02 -6.0000e+00 9.1175e-01 7.9256e-01 1.9435e-02 5.7867e-02 -6.0000e+00 9.9404e-01 -1.2141e+00 1.6244e-02 2.9266e-02 -6.0000e+00 5.9448e-01 5.1825e-01 7.5349e-03 1.0855e-02 -6.0000e+00 2.5098e-01 4.1920e-05 -1.4814e-03 2.0989e-04 3.9778e-04 -6.0000e+00 2.0350e-02 1.6330e-02 -2.5698e-04 12 8 8 10 0 0 99.91 22.77 0.69 0.01633 0.00520 59 10 1 5 0 877.710 25.68 20.00 22.77 6.42 5.7 867.80 -179319 66917 900000 900000 -8393 -79763 93474 -59633 -74660 29396 -39812 110346 900000 231158 116056 10513 93378 33659 139344 80455 900000 183097 30338 162715 626 237279 -50990 35952 37958 900000 69026 29096 192639 35135 113068 127403 47809 72086 900000 101886 62449 145154 90706 72940 29046 174120 77828 53947 57981 113668 35512 54089 62423 88178 55069 53275 21607 22285 22481 8060 35416 31404 19483 34545 34731 19545 29146 16066 23493 18869 10413 28789 9272 -5755 1498 -93 3592 6633 -1081 -5186 423 -2744 225 -562 -6231 -1472 -2676 1285 -1296 -2852 -656 -6873 -5749 -7745 -7508 -1526 -1718 -2078 437 -2151 -1986 -3514 -3165 -4607 -4770 -3269 -1235 -538 -756 -83 3225 1141 37 -852 -649 -798 -1033 -1119 10 1184 2629 1689 4698 1841 2035 522 2467 -2637 2570 1731 1612 667 -650 163 91 -403 -187 729 -964 894 -675 -1108 -2293 -16550 592 900000 900000 -127 -2168 650 -1169 -1652 223 -604 767 900000 1607 880 272 1181 830 1233 1271 900000 1273 671 1131 17 1650 -2224 636 672 900000 1222 920 1473 1222 1887 1772 1529 2005 900000 2692 2649 2826 3154 3094 1939 2785 3355 3076 3346 4031 3013 4175 4775 5518 4940 4890 2689 2665 2579 1054 3669 3756 2994 5116 5434 3574 4884 3206 4770 4487 2904 6826 2585 -1725 376 -21 764 1444 -293 -1756 160 -1217 106 -284 -3536 -839 -1608 757 -777 -1668 -353 -3737 -3074 -4524 -5022 -1138 -1375 -1915 425 -2145 -1854 -3012 -2742 -4037 -4412 -3160 -1139 -540 -855 -105 4446 1712 57 -1296 -951 -1148 -1519 -1726 17 1906 4085 2543 6604 2570 2739 695 3233 -3934 4154 3209 3039 1370 -1442 383 228 -1049 -495 1919 -2531 2181 -1562 -2417 -4960 SS 20241203T132258.9Z 9103.557626 77 1 51.52 2 79.09 130.95 103.22 116.47 0.00 1 0.00 1 0 17 5.845e-01 1.271e-02 3.183e-02 1.150e-03 7.364284e-01 6.182442e-04 8.848138e-03 -6.000000e+00 3.434369e-01 223.27 -2.00 3.48 -2.00 320.92 0.00e+00 5.943630e-03 2.800184e-04 4.797334e-03 -6.000000e+00 1.531816e-02 279.70 -2.00 20.00 -2.00 320.38 0.00e+00 5.093 0.002 302.00 328.00 3 6.9974e-01 1.9687e-03 6.5484e-02 -6.0000e+00 8.4424e-01 1.4944e-01 2.6387e-03 4.4103e-02 -6.0000e+00 9.1995e-01 -2.4808e-01 2.6231e-03 2.5858e-02 -6.0000e+00 5.4943e-01 9.6213e-02 1.2652e-03 9.4428e-03 -6.0000e+00 2.2956e-01 7.6722e-04 -3.3801e-04 3.2123e-05 1.7394e-04 -6.0000e+00 1.8070e-02 1.2340e-02 -3.8235e-05 12 8 8 10 0 0 96.36 22.77 0.57 0.01234 0.00980 287 47 1 5 0 179.500 25.68 20.00 22.77 7.08 5.6 871.74 -246998 -198387 -173422 -168212 -183562 -204183 -168516 -179530 -170236 -170936 -149929 -143431 -118268 -105290 -82985 -71727 -60947 -50332 -47254 -46288 -40376 -49697 -45889 -43073 -33562 -39991 -48805 -40401 -43602 -37024 -24588 -20955 -9735 -15345 -14059 -11255 -11092 -4986 3847 1375 2884 3115 5255 3506 4891 8111 5124 5948 5770 7088 6375 7986 7814 9226 7601 6320 3901 3404 1085 1892 4250 4283 5831 6238 5120 3863 3671 2581 3126 3606 3076 3004 1837 -303 -459 -1987 -3534 -2549 -2638 -1726 -1192 -1541 -1537 -1630 -1038 -177 454 1243 1105 448 137 -615 -1787 -1685 -1702 -647 66 283 124 -771 -1443 -1779 -1563 -1397 -1766 -1516 -965 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