File name: Pandora75s1_EssexMD_20241206_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241207T050300.8Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241206_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: 20241206 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 20241206T130456.1Z 9106.545093 68 1 51.75 2 82.26 127.75 130.34 82.05 0.00 1 0.00 1 0 17 5.002e-01 2.261e-02 1.657e-01 4.531e-03 8.790945e-01 2.615606e-03 1.019888e-02 -6.000000e+00 2.982276e-01 223.23 -2.00 3.48 -2.00 321.81 0.00e+00 1.309985e-02 1.411836e-03 3.569658e-03 -6.000000e+00 1.311231e-02 279.38 -2.00 20.00 -2.00 321.37 0.00e+00 6.917 0.006 302.00 328.00 3 7.2101e-01 9.4899e-03 8.3582e-02 -6.0000e+00 7.3359e-01 8.5916e-01 1.2705e-02 4.8186e-02 -6.0000e+00 7.9477e-01 -1.2352e+00 1.1545e-02 2.9491e-02 -6.0000e+00 4.7433e-01 5.0649e-01 5.3971e-03 1.5202e-02 -6.0000e+00 2.0363e-01 1.0446e-04 -2.4268e-03 1.2535e-04 2.7308e-04 -6.0000e+00 1.5380e-02 -2.3348e-02 1.2749e-04 12 8 8 10 0 0 49.33 22.75 0.82 -0.02335 -0.04158 83 14 1 5 0 623.440 25.68 20.01 22.75 5.58 5.7 862.42 -182596 -111970 -54859 -63415 -141408 -27055 -98198 -148490 -170101 -135439 -145714 -107234 -68339 -55335 -61079 66521 -24690 -6663 244759 -14645 65532 59556 -16757 -41310 -10106 -11722 -6708 118929 12013 -41359 13724 1166 23285 4741 26189 95937 -16026 42809 44220 -959 26510 20217 23918 25051 44282 58322 64579 42137 61931 57158 24827 54836 39800 57522 25470 15692 14668 23905 23737 10226 8379 6061 11274 19747 20613 10129 13987 15412 16709 24723 10799 13007 8670 -310 5942 7299 -4533 -4897 -1558 -3102 54 -8135 5066 2548 -1515 223 3479 1829 1623 39 -1514 -5704 -1999 -7696 -5473 -2316 -1394 -394 -659 -1694 -2209 -3631 -2183 -3728 -3181 -2708 -1464 -1897 -690 -167 860 -248 -466 -463 -323 -605 -347 -472 565 1415 1064 3280 3474 1936 1925 -119 1585 -1615 648 1171 629 273 94 -183 -203 94 427 683 -355 -70 -938 -1980 -8000 -3058 -881 -1044 -4430 -239 -1657 -4056 -5739 -3210 -3863 -2154 -1180 -1111 -1668 615 -645 -158 1081 -394 763 694 -404 -1261 -223 -259 -137 669 198 -1296 303 36 655 169 798 1399 -743 1229 1446 -56 1300 1117 1321 1395 2054 2396 2568 2197 2818 2955 1963 3561 3271 4244 2701 1865 1756 2535 2412 1161 1000 817 1654 3019 3351 1857 2515 2880 3396 5221 2844 3442 2325 -84 1360 1483 -993 -1138 -406 -992 20 -3742 2254 1242 -817 125 1957 1067 941 22 -820 -3077 -1040 -4573 -3678 -1632 -1155 -374 -683 -1784 -2201 -3312 -1796 -3079 -2746 -2468 -1416 -2026 -823 -227 1199 -377 -728 -714 -483 -891 -520 -742 919 2322 1711 4934 5014 2740 2639 -163 2341 -2454 1108 2288 1277 606 225 -469 -516 249 1145 1835 -946 -176 -2383 -4764 SS 20241206T131604.9Z 9106.552834 71 1 51.33 2 80.58 129.72 128.27 83.92 0.00 1 0.00 1 0 17 5.654e-01 1.816e-02 1.871e-01 3.487e-03 7.790810e-01 1.954041e-03 9.339217e-03 -6.000000e+00 3.370763e-01 223.23 -2.00 3.48 -2.00 321.41 0.00e+00 9.260338e-03 9.967467e-04 4.920538e-03 -6.000000e+00 1.482107e-02 279.38 -2.00 20.00 -2.00 320.94 0.00e+00 5.818 0.003 302.00 328.00 3 1.5420e+00 6.7594e-03 7.3229e-02 -6.0000e+00 8.2915e-01 3.7612e-01 9.3578e-03 4.7009e-02 -6.0000e+00 8.9831e-01 -5.8228e-01 9.4050e-03 2.9526e-02 -6.0000e+00 5.3613e-01 2.3982e-01 4.4279e-03 1.2360e-02 -6.0000e+00 2.3015e-01 1.5329e-04 -1.8325e-03 9.9002e-05 2.2931e-04 -6.0000e+00 1.7384e-02 -2.3446e-02 1.1005e-04 12 8 8 10 0 0 99.45 22.75 0.64 -0.02345 -0.03722 85 14 1 5 0 603.790 25.68 20.00 22.75 6.41 5.6 867.57 -285962 -165614 -176894 -114347 -190638 -138847 3074 -150424 -195375 -171899 -166612 -123249 -100984 -70111 -92861 67961 -25202 -7849 147893 26341 125870 14357 -7537 -52820 -25447 -16363 -8672 21740 -17159 -56311 25704 -9727 -8951 9122 -6362 62801 -17343 26131 11512 4493 8386 8201 13918 21944 21438 23781 17767 17068 29543 25223 12620 20058 29478 30894 6386 9052 6163 11695 4687 3533 4041 5659 9590 11169 8369 8316 4829 2967 8841 9844 6345 5404 3404 -1923 2091 666 -1380 -1679 -582 -2721 -49 -4881 -298 22 -1180 -2565 1577 883 2062 -615 -986 -4091 -1468 -5353 -3320 -1185 -464 936 -296 -847 -1970 -1876 -1530 -1918 -2323 -2140 -1081 -1097 -245 512 974 221 -188 -485 -272 -109 -69 -189 211 1187 1022 1974 1773 1137 1750 -105 851 -412 -98 549 293 -83 132 -123 -35 112 359 312 -314 -357 -686 -1112 -11579 -2406 -3117 -1060 -3477 -1416 10 -1813 -3925 -2869 -2781 -1524 -1280 -867 -1866 336 -366 -107 503 285 506 173 -126 -1437 -545 -328 -162 296 -350 -1895 463 -304 -323 295 -236 1153 -761 853 517 254 510 538 909 1365 1370 1528 1256 1277 2079 2015 1274 2100 3087 3456 964 1373 974 1726 720 543 643 981 1829 2366 1944 1951 1190 784 2432 3032 2209 1966 1237 -689 653 191 -387 -494 -194 -1107 -23 -2492 -160 12 -729 -1699 1046 603 1383 -407 -616 -2508 -870 -3509 -2432 -999 -455 950 -328 -944 -2088 -1965 -1475 -1852 -2376 -2314 -1237 -1256 -311 729 1537 344 -298 -755 -406 -171 -111 -293 341 1938 1639 3268 2832 1762 2601 -155 1243 -656 -163 1028 608 -173 293 -291 -83 276 897 786 -784 -847 -1638 -2521 SS 20241206T132608.7Z 9106.559823 77 1 51.68 2 79.11 131.54 126.40 85.55 0.00 1 0.00 1 0 17 5.345e-01 1.345e-02 2.770e-02 1.181e-03 7.029935e-01 6.488518e-04 8.557309e-03 -6.000000e+00 3.188251e-01 223.23 -2.00 3.48 -2.00 320.74 0.00e+00 5.625638e-03 2.729305e-04 4.133125e-03 -6.000000e+00 1.401324e-02 279.38 -2.00 20.00 -2.00 320.23 0.00e+00 5.099 0.002 302.00 328.00 3 4.8924e-01 2.0127e-03 6.4213e-02 -6.0000e+00 7.8427e-01 1.6120e-01 2.6413e-03 4.1713e-02 -6.0000e+00 8.4956e-01 -2.6463e-01 2.5852e-03 2.4182e-02 -6.0000e+00 5.0704e-01 1.0353e-01 1.2719e-03 8.6446e-03 -6.0000e+00 2.1775e-01 9.6122e-04 -1.4163e-03 3.3686e-05 1.5054e-04 -6.0000e+00 1.6433e-02 -2.4835e-02 1.7032e-04 12 8 8 10 0 0 44.64 22.76 0.51 -0.02483 -0.03548 304 49 1 5 0 169.990 25.68 20.00 22.76 7.12 5.7 873.02 -214280 -174044 -163236 -160186 -178163 -170884 -158134 -182751 -167706 -145203 -152103 -130144 -109947 -94853 -76990 -50249 -54139 -34775 -31029 -28556 -29295 -34842 -31153 -38913 -37397 -26548 -29513 -32585 -33013 -38047 -17344 -14441 -5440 -7973 -8483 -2873 -13168 -3120 -309 -1132 662 3362 5173 6548 8160 7706 7005 5436 6555 7204 7874 8329 8077 9755 6757 5236 4349 4085 2683 2142 3142 3955 5413 6505 5055 3874 2941 2307 3472 4158 2833 2901 1898 582 -77 -2470 -3903 -3858 -3516 -2735 -1799 -2493 -1529 -1392 -951 -100 307 933 700 439 -216 -1164 -1834 -2369 -1881 -930 65 475 90 -653 -1206 -1894 -1490 -1060 -1419 -1720 -948 -349 419 813 1038 568 260 -135 -186 -363 125 351 644 515 845 1240 1113 967 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