File name: Pandora75s1_EssexMD_20251106_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251107T045351.8Z 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 v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20251106_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: 20251106 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 20251106T121320.3Z 9441.509263 263 1 51.79 2 84.86 115.75 81.80 294.07 0.00 1 0.00 1 0 17 8.765e-01 3.729e-02 3.626e-01 1.577e-02 8.337630e-01 9.116162e-03 1.070229e-02 -6.000000e+00 5.217028e-01 224.34 -2.00 3.48 -2.00 322.23 0.00e+00 1.421107e-02 5.412151e-03 1.368599e-02 -6.000000e+00 2.598715e-02 282.82 -2.00 20.00 -2.00 321.77 0.00e+00 9.624 0.016 302.00 328.00 3 1.4484e-01 3.7022e-02 1.2342e-01 -6.0000e+00 1.2813e+00 1.5671e+00 4.2352e-02 7.6940e-02 -6.0000e+00 1.3933e+00 -2.0641e+00 2.2826e-02 2.7018e-02 -6.0000e+00 8.3738e-01 8.2089e-01 1.2075e-02 6.2500e-03 -6.0000e+00 3.5995e-01 1.4363e-05 1.1721e-03 4.8079e-04 4.5136e-04 -6.0000e+00 2.7986e-02 1.3561e-02 -9.3303e-06 12 8 8 10 0 0 10.78 23.48 1.79 0.01356 0.02237 35 6 1 5 0 1479.470 26.21 19.99 23.48 16.42 7.6 940.96 -48572 900000 900000 147670 19944 40721 383092 24204 7301 35301 900000 118386 900000 900000 136311 102599 82985 81341 79012 31142 302819 900000 392533 68083 57206 77583 64448 -22374 -20247 900000 136987 19357 168424 88821 125376 313288 900000 -39792 154022 900000 107215 129103 129436 177485 -326 900000 36545 55651 58931 900000 110976 9810 69773 311306 54286 186601 35118 19432 -4732 -6525 41701 72170 46765 16771 16693 8027 48591 6287 52269 30406 19382 66396 3374 -10252 12475 12778 -1309 39612 -5037 -26538 -4257 -3885 340 -5815 -1942 1985 -6563 11792 2181 -3891 -2460 343 -4095 -4379 -6220 1892 23 -3799 8090 2078 -7012 -8416 -8420 -2487 -4907 -5942 -2970 3233 -3840 -1356 6910 164 -2928 -2730 1118 226 -708 -1301 -630 2906 3568 753 5284 2111 1348 -2677 3094 -5966 5016 2715 200 -528 396 -701 -66 -27 -163 2229 -2881 1455 -101 630 -2629 -9688 900000 900000 3398 1326 1988 5878 1114 367 1231 900000 1816 900000 900000 3042 3578 3704 3744 3637 2172 4646 900000 6022 2279 1995 2056 1798 -1373 -1186 900000 2102 1107 2584 2725 2448 4807 900000 -4163 2578 900000 3290 3241 3250 2723 -29 900000 2467 3159 3345 900000 4257 1114 4603 4776 4414 4008 3340 2057 -603 -821 3327 4651 4377 2341 2433 1269 5144 1061 6095 4898 3717 8047 735 -2344 2029 1862 -211 4497 -1036 -8102 -1221 -1263 116 -2239 -763 789 -2950 4487 904 -1642 -963 125 -1564 -1821 -3054 1019 15 -2944 6007 1636 -5669 -6263 -5826 -1633 -3501 -4567 -2392 2703 -3912 -1546 8142 221 -4160 -3815 1463 295 -964 -1880 -952 4325 5173 1082 7021 2811 1760 -3573 3959 -9181 7980 5060 387 -1119 893 -1717 -172 -73 -451 6074 -8102 3715 -244 1430 -6091 SS 20251106T122527.3Z 9441.517677 266 1 51.43 2 82.77 117.78 83.82 295.80 0.00 1 0.00 1 0 17 4.894e-01 1.885e-02 1.241e-01 3.215e-03 7.475443e-01 1.775413e-03 9.667026e-03 -6.000000e+00 2.886529e-01 224.34 -2.00 3.48 -2.00 321.64 0.00e+00 8.652313e-03 9.840292e-04 9.076741e-03 -6.000000e+00 1.299095e-02 282.82 -2.00 20.00 -2.00 321.12 0.00e+00 7.328 0.007 302.00 328.00 3 2.3249e-01 6.5164e-03 9.1901e-02 -6.0000e+00 7.1049e-01 4.9495e-01 8.8590e-03 6.3069e-02 -6.0000e+00 7.7326e-01 -7.1362e-01 8.1792e-03 3.2285e-02 -6.0000e+00 4.6233e-01 2.9037e-01 3.7724e-03 9.4753e-03 -6.0000e+00 1.9330e-01 1.4730e-04 -2.7785e-04 9.4145e-05 2.8171e-04 -6.0000e+00 1.5135e-02 1.3930e-02 -3.2463e-05 12 8 8 10 0 0 5.45 23.48 0.77 0.01393 0.01184 134 22 1 5 0 383.730 26.21 20.00 23.48 17.47 7.6 948.19 -245411 -155492 135711 -98687 -138362 -155406 -141044 -198802 -136874 -127608 -135699 -88721 -41314 -87548 -67141 -51776 -27356 -10048 -46200 -33080 25298 12665 40616 -35539 -37235 -18170 -48757 -43738 -48707 -9497 -6511 -28196 29711 -6095 -11628 16213 21213 -22205 32578 24406 23656 19113 24751 29018 16044 39881 19938 17418 20990 35895 20878 18149 23773 31878 17037 17041 12291 10139 1835 9568 9335 11337 16008 11249 15331 10256 9094 6274 10084 10139 7386 9350 5240 1146 1010 -1581 -3326 -53 -4890 -3737 -1918 -1906 -1866 -872 -1398 517 320 1469 971 -1092 -648 -1309 -3416 -3227 -3321 -1306 -703 -661 250 -1116 -2164 -2715 -2656 -2222 -3302 -1999 -1000 -1180 167 816 1141 94 -493 -794 -892 -565 -124 -90 636 1146 1649 1706 2102 1542 1570 66 524 -770 1001 909 20 37 -385 -176 -71 180 484 612 -268 340 -745 -800 -1521 -10424 -3103 426 -1125 -2130 -2658 -2091 -5497 -2146 -1892 -2282 -1062 -389 -1697 -1340 -1063 -499 -169 -1185 -764 325 199 484 -936 -1027 -422 -1529 -1275 -1512 -220 -176 -1132 764 -237 -467 488 652 -1212 1216 1148 1246 1127 1444 1665 1067 2138 1344 1256 1547 2465 1846 1833 2482 3309 2158 2223 1700 1412 270 1290 1314 1731 2655 2191 3033 2145 1945 1450 2479 2814 2295 2947 1686 360 289 -421 -863 -14 -1540 -1386 -821 -933 -1004 -452 -779 299 194 903 597 -660 -404 -781 -2063 -2071 -2208 -999 -626 -672 272 -1230 -2267 -2606 -2372 -1986 -3159 -2006 -1064 -1373 196 1078 1669 147 -787 -1242 -1345 -831 -186 -141 1041 1912 2697 2692 3193 2277 2241 93 738 -1183 1714 1626 41 80 -823 -402 -172 455 1249 1595 -695 834 -1741 -1773 -3350 SS 20251106T123609.9Z 9441.525114 269 1 51.56 2 80.96 119.62 85.58 297.34 0.00 1 0.00 1 0 17 4.877e-01 1.251e-02 3.650e-02 1.430e-03 6.520435e-01 7.642768e-04 7.985171e-03 -6.000000e+00 2.877306e-01 224.34 -2.00 3.48 -2.00 320.93 0.00e+00 4.323410e-03 3.491318e-04 5.177754e-03 -6.000000e+00 1.294716e-02 282.82 -2.00 20.00 -2.00 320.33 0.00e+00 6.031 0.004 302.00 328.00 3 2.3938e-01 2.4866e-03 7.1956e-02 -6.0000e+00 7.0822e-01 1.5363e-01 3.2752e-03 4.4026e-02 -6.0000e+00 7.7075e-01 -2.3014e-01 3.0993e-03 2.2700e-02 -6.0000e+00 4.6084e-01 8.7993e-02 1.4950e-03 6.5348e-03 -6.0000e+00 1.9270e-01 5.6563e-04 -1.5473e-04 4.2399e-05 1.3969e-04 -6.0000e+00 1.5084e-02 1.3384e-02 -1.0645e-05 12 8 8 10 0 0 13.39 23.48 0.59 0.01338 0.01222 280 46 1 5 0 184.130 26.21 20.00 23.48 18.26 7.5 952.38 -219332 -162494 -96965 -151494 -152993 -179448 -147214 -181155 -139525 -143742 -114661 -112768 -92972 -93208 -66395 -45896 -45739 -31705 -49544 -31293 -19088 -27086 -28500 -30065 -24865 -29844 -34329 -36783 -31497 -23777 -9513 -19689 2229 -10231 -7082 -4156 -2069 -6855 3403 4629 3501 4314 7543 7214 4794 7808 9200 5245 5296 8016 7052 6834 7118 9234 6493 5869 3582 2180 763 1946 3128 5230 5742 6013 3994 2987 2412 1674 2530 3193 2829 3177 2035 -111 -388 -1978 -2773 -3006 -2844 -2550 -2135 -1893 -1751 -1526 -944 40 327 1086 526 447 87 -1020 -1669 -1920 -1595 -717 241 168 141 -624 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