File name: Pandora75s1_EssexMD_20240626_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T143411.9Z 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_20240626_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: 20240626 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 20240626T103509.3Z 8943.441080 196 1 51.05 2 81.57 66.67 57.33 205.43 0.00 1 0.00 1 0 17 5.290e-01 2.443e-02 3.902e-01 1.545e-02 8.212629e-01 9.626944e-03 9.623312e-03 -6.000000e+00 3.298493e-01 232.84 -2.00 3.48 -2.00 322.04 0.00e+00 8.772965e-03 5.425598e-03 3.424968e-03 -6.000000e+00 1.483468e-02 288.74 -2.00 20.00 -2.00 321.54 0.00e+00 6.411 0.005 302.00 328.00 3 1.9276e+00 3.7702e-02 7.8855e-02 -6.0000e+00 8.2749e-01 9.3814e-01 4.9107e-02 4.5765e-02 -6.0000e+00 8.9029e-01 -1.2615e+00 3.8837e-02 2.5550e-02 -6.0000e+00 5.2889e-01 4.9970e-01 1.8134e-02 1.1207e-02 -6.0000e+00 2.2436e-01 4.9439e-05 -2.4517e-03 4.7320e-04 2.2702e-04 -6.0000e+00 1.6358e-02 -3.4804e-02 1.2407e-04 12 9 8 11 16 0 79.06 23.60 0.95 -0.03480 -0.05323 31 5 1 5 0 1646.620 26.32 20.00 23.60 33.05 4.2 1048.62 48492 130717 23820 -126681 -123462 900000 26122 -14846 -119831 -119734 -137386 -43517 -97908 900000 166376 900000 47047 241045 94524 -22495 900000 -37824 -37782 -2072 2849 37443 -27260 -11061 19781 2553 64565 900000 -35710 38819 39464 229569 -35529 1212 104667 152142 102863 12081 82113 96393 63863 32097 10993 11721 59644 13221 5890 17115 33181 48589 44301 29485 -2491 52869 14871 30385 30652 14360 15048 9598 26282 25697 26107 15321 20763 21447 11133 6819 20060 9100 -10266 15180 -7750 -6168 -14455 -8300 -91 5183 -2573 -6440 -270 2134 9878 2244 5068 -6205 822 2400 -4108 -10908 -4901 -6768 -1412 721 -329 -1949 -6794 1400 1967 -2875 -4398 -847 -4129 294 1786 508 -403 -1249 258 1537 -1298 -870 -127 723 -375 1539 -189 2395 1273 1662 2469 1723 333 439 -447 -911 313 212 408 385 794 -736 983 415 -477 -568 -1602 -231 730 1967 358 -6036 -4954 900000 393 -223 -3907 -3904 -5340 -709 -3315 900000 2503 900000 767 3627 1422 -818 900000 -1470 -1421 -60 78 717 -970 -318 406 66 1060 900000 -2149 1168 1134 3454 -2138 56 2004 2289 2533 777 2696 2769 2533 1756 752 818 2692 1013 532 1522 2723 3656 3636 2864 -334 3978 1566 2660 2725 1630 1914 1444 3559 3515 3571 2431 3408 3931 2467 1796 4528 2136 -2641 2718 -1644 -1327 -3828 -2460 -29 1817 -1076 -2994 -126 1024 4578 1148 2509 -3314 385 1047 -1885 -5663 -2721 -4501 -1047 603 -303 -1844 -6389 1104 1418 -2150 -3514 -694 -3734 277 1854 606 -545 -1828 380 2205 -1852 -1208 -177 1050 -580 2392 -294 3502 1811 2273 3232 2212 432 608 -709 -1653 626 459 944 954 2093 -2063 2775 1189 -1360 -1544 -4121 -550 SS 20240626T104758.1Z 8943.449978 200 1 51.40 2 79.28 68.54 58.38 208.80 0.00 1 0.00 1 0 17 5.145e-01 1.274e-02 1.171e-01 2.696e-03 6.968687e-01 1.544123e-03 8.565259e-03 -6.000000e+00 3.187330e-01 232.84 -2.00 3.48 -2.00 321.00 0.00e+00 3.983368e-03 7.260673e-04 5.281237e-03 -6.000000e+00 1.403695e-02 288.74 -2.00 20.00 -2.00 320.39 0.00e+00 5.169 0.002 302.00 328.00 3 1.8247e+00 5.1551e-03 6.8032e-02 -6.0000e+00 7.9951e-01 1.3192e-01 7.0122e-03 4.8845e-02 -6.0000e+00 8.5823e-01 -2.3397e-01 6.7304e-03 2.3524e-02 -6.0000e+00 5.1126e-01 8.5119e-02 3.2249e-03 5.9686e-03 -6.0000e+00 2.1769e-01 2.3608e-04 -1.0217e-03 7.9005e-05 1.2547e-04 -6.0000e+00 1.5864e-02 -3.6141e-02 1.9807e-04 12 9 8 11 8 0 92.30 23.60 0.66 -0.03614 -0.04382 87 14 1 5 0 590.710 26.32 20.00 23.60 33.94 4.2 1055.09 -224438 -97018 -115617 -90302 -244295 -161137 -182030 -165935 -183953 -135035 -151263 -77995 -38442 -125043 -112652 -11386 -26569 -28904 29244 -53086 49848 -7223 -1670 -47457 -36251 -17687 8467 13608 -29903 -53747 -1160 -29796 5513 1817 -3122 22581 -20018 7527 7524 -11633 -3181 -4588 229 6959 4199 8781 -1324 5998 8939 9529 4115 5648 9518 13526 2738 4488 2291 4220 2692 2010 1826 1056 3956 4722 2593 3602 1888 2432 2724 6204 3644 3524 2927 383 -422 477 -3991 -4515 -2406 -2983 -2353 -4433 -1156 -585 -234 -942 1486 1310 1969 76 -60 -816 -1071 -2562 -1741 701 272 828 -401 -297 -1244 -2515 -1391 -1297 -1780 -1499 -800 -617 485 784 1217 606 -40 -173 -166 -363 146 356 118 686 200 1498 1629 694 882 -671 -202 -43 -123 40 -93 -536 -310 -199 -253 -33 462 825 90 118 -807 -747 -3326 -487 -774 -475 -5664 -1579 -2306 -1983 -2946 -1452 -2061 -578 -239 -2391 -2423 -120 -377 -471 292 -1284 446 -116 -26 -1273 -934 -400 151 229 -778 -1922 -29 -1191 180 67 -121 677 -1000 334 406 -908 -260 -414 21 613 389 796 -137 599 916 1050 532 806 1444 2151 518 873 469 848 539 402 379 242 997 1322 787 1084 580 775 953 2381 1438 1459 1210 169 -172 175 -1451 -1688 -986 -1318 -1210 -2661 -741 -399 -170 -736 1190 1079 1609 61 -45 -588 -755 -1912 -1442 602 272 938 -496 -369 -1472 -2758 -1403 -1309 -1908 -1700 -959 -798 631 1137 1936 952 -64 -268 -265 -564 228 580 189 1123 326 2336 2638 1093 1333 -997 -297 -66 -199 72 -184 -1068 -653 -447 -567 -78 1107 1995 217 273 -1781 -1669 SS 20240626T105824.8Z 8943.457231 203 1 51.56 2 77.39 70.05 59.33 211.47 0.00 1 0.00 1 0 17 3.541e-01 1.003e-02 4.691e-02 1.713e-03 6.166313e-01 9.614492e-04 7.485446e-03 -6.000000e+00 2.193308e-01 232.84 -2.00 3.48 -2.00 320.41 0.00e+00 2.430010e-03 3.722656e-04 3.551267e-03 -6.000000e+00 9.659576e-03 288.74 -2.00 20.00 -2.00 319.73 0.00e+00 4.452 0.001 302.00 328.00 3 1.8457e+00 2.9556e-03 5.7453e-02 -6.0000e+00 5.5017e-01 5.4349e-02 3.7475e-03 3.8678e-02 -6.0000e+00 5.9060e-01 -1.2399e-01 3.3536e-03 1.8191e-02 -6.0000e+00 3.5182e-01 4.2040e-02 1.6785e-03 4.6527e-03 -6.0000e+00 1.4979e-01 4.9795e-04 -1.0202e-03 5.0980e-05 8.5408e-05 -6.0000e+00 1.0918e-02 -3.6250e-02 1.6892e-04 12 8 8 10 0 0 47.91 23.61 0.59 -0.03625 -0.04392 118 19 1 5 0 436.930 26.32 20.00 23.61 34.66 4.2 1059.23 -140615 -109747 -56143 -104579 -156228 -121577 -107473 -133809 -108429 -106805 -105272 -42928 -61178 -72626 -63191 -14530 -27797 -20491 -17352 -19357 4436 -1611 -18718 -26134 -14577 -11459 -4259 -9208 -11064 -29545 -9474 -14290 660 -7230 -5456 -868 -17541 -2659 -362 -4698 -2156 -450 -624 3943 3099 4201 4079 2258 940 1855 1242 2404 4701 7644 1105 2877 2524 1426 1432 886 -28 1805 2811 3739 1779 2496 1117 603 2182 3801 1928 2064 1927 -396 60 -1004 -3290 -3941 -2659 -2434 -1468 -2781 -1412 -1116 -341 43 939 1059 1047 641 174 -472 -949 -1457 -724 -372 320 265 228 -602 -1077 -2184 -1212 -1029 -1109 -1116 -814 -234 445 888 1066 599 283 -195 -139 -84 96 358 615 402 390 995 1010 730 339 -97 -233 45 -92 -8 -240 -758 -460 -242 -27 130 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