File name: Pandora75s1_EssexMD_20240525_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240526T051234.7Z 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_20240525_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: 20240525 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 20240525T104057.8Z 8911.445113 204 1 52.55 2 80.87 70.18 88.86 229.97 0.00 1 0.00 1 0 17 5.146e-01 3.599e-02 4.174e-01 2.925e-02 8.178574e-01 1.840296e-02 1.005105e-02 -6.000000e+00 3.241859e-01 231.79 -2.00 3.48 -2.00 321.90 0.00e+00 1.092456e-02 9.310271e-03 7.572475e-03 -6.000000e+00 1.555594e-02 285.67 -2.00 20.00 -2.00 321.39 0.00e+00 5.975 0.004 302.00 328.00 3 3.0693e+00 6.7474e-02 8.1387e-02 -6.0000e+00 8.1515e-01 1.1436e+00 8.4003e-02 5.8112e-02 -6.0000e+00 8.8115e-01 -1.4788e+00 6.1688e-02 3.0120e-02 -6.0000e+00 5.2094e-01 5.7889e-01 2.9844e-02 9.6910e-03 -6.0000e+00 2.2187e-01 2.2145e-05 -1.8858e-03 9.0617e-04 2.6087e-04 -6.0000e+00 1.6561e-02 -3.2081e-02 1.0615e-04 12 9 8 11 24 0 97.20 23.43 0.80 -0.03208 -0.04625 14 2 1 5 0 3753.120 26.21 19.99 23.43 28.06 4.1 1019.86 900000 900000 56236 -55001 900000 -93834 900000 -40142 -72786 900000 147181 -34170 -36903 900000 -11528 900000 900000 132917 900000 173682 900000 -46926 900000 -101298 300 -18359 86973 900000 15637 14641 155553 61759 57450 116854 30088 19072 2361 256230 82200 -4708 75398 22505 185343 21277 14182 23581 81029 13787 11758 57995 37467 88266 50100 41632 39688 35618 7739 100600 -12666 25447 48962 -16685 42322 34006 20108 -4057 -10142 -7706 22759 15399 34676 8119 7157 47454 -17352 4630 -9008 18147 -16417 19321 -7560 6448 -3412 13696 -1194 2269 16 -6393 2151 2551 1330 7962 -6198 -5164 -2083 -3886 -736 -49 -1391 -1869 -5047 6811 -10025 -7699 -5848 1389 -152 641 -3169 -2571 761 700 -16 -1618 -1928 -1852 191 878 3795 225 1693 1452 1411 7645 1997 3118 -1091 724 -955 -1210 1212 -2999 3929 -540 856 -192 -448 824 1251 -2248 -383 -1541 900000 900000 1600 -3260 900000 -6006 900000 -1332 -3279 900000 4187 -1053 -1400 900000 -519 900000 900000 3781 900000 4941 900000 -3560 900000 -12248 13 -914 2474 900000 526 530 4425 1917 2080 3324 1401 937 140 7290 2764 -426 3315 1746 5273 1706 1210 1830 3563 1212 1095 3600 3101 4794 4276 4092 4106 3869 1101 5464 -2031 2698 4179 -2977 4707 4573 3276 -839 -2230 -1714 4061 3305 6637 2079 1796 7364 -4622 886 -1864 2957 -4288 4617 -2775 2348 -1505 5416 -581 1123 9 -3656 1120 1270 628 3330 -2945 -2571 -1143 -2554 -550 -42 -1306 -1771 -4652 5057 -8100 -6024 -4725 1106 -132 600 -3444 -3153 1008 994 -24 -2352 -2715 -2550 261 1251 5517 347 2529 2090 1954 9591 2557 3841 -1399 978 -1491 -2154 2342 -6544 8540 -1312 2184 -517 -1238 2261 3363 -5947 -931 -3554 SS 20240525T105213.0Z 8911.452928 209 1 46.33 2 78.81 71.83 90.48 231.70 0.00 1 0.00 1 0 17 5.594e-01 2.506e-02 2.543e-01 6.412e-03 7.004463e-01 3.701640e-03 8.255984e-03 -6.000000e+00 3.452033e-01 231.79 -2.00 3.48 -2.00 321.08 0.00e+00 -1.055043e-03 1.683518e-03 4.172970e-03 -6.000000e+00 1.519827e-02 285.67 -2.00 20.00 -2.00 320.51 0.00e+00 4.971 0.002 302.00 328.00 3 3.3013e+00 1.2199e-02 6.6136e-02 -6.0000e+00 8.6425e-01 3.7356e-01 1.6046e-02 4.8829e-02 -6.0000e+00 9.2907e-01 -6.2347e-01 1.4047e-02 2.1015e-02 -6.0000e+00 5.5310e-01 2.6040e-01 6.6926e-03 6.0765e-03 -6.0000e+00 2.3559e-01 6.3341e-05 -1.6760e-03 1.9082e-04 8.2840e-05 -6.0000e+00 1.7287e-02 -3.4295e-02 1.8706e-04 12 9 9 12 33 1 97.86 23.44 0.48 -0.03430 -0.04689 17 3 1 5 0 2573.240 26.21 20.00 23.44 28.71 4.1 1024.31 134205 -51295 -139429 -17359 -58770 49683 39228 -61538 -192264 -156820 -162254 -84518 -5525 900000 -100258 226 -33092 -49043 143249 -5137 178857 900000 48356 26278 -17035 69527 406772 41590 -1981 -22534 746 -5474 33151 9533 42797 112368 -31906 22932 40227 5759 9726 20512 14607 5366 19756 13803 29275 25953 28574 23403 12642 16653 -7074 35477 6136 16463 8722 18672 16614 7955 3279 10634 8455 4467 7166 2179 -4442 455 16584 19863 2456 6404 -805 5420 1141 4417 -6387 -5284 -3440 -9511 1035 -12353 -498 2249 2874 -2814 2382 367 1826 1169 -4233 -87 290 -5326 -6862 -760 404 -203 -125 -412 -2204 -3473 -1305 -1559 -1455 -3099 -1137 -623 -431 189 1332 319 522 -344 -219 102 648 442 -1145 798 318 2567 3365 -50 2285 -332 529 2376 -579 1310 677 -736 256 -552 -351 185 836 488 113 -611 -926 -1700 839 -641 -4436 -158 -735 310 245 -839 -10704 -6593 -7559 -1969 -69 900000 -4784 5 -1053 -1978 895 -146 1118 900000 907 657 -703 1260 2542 962 -68 -986 29 -267 1243 483 1524 1966 -2532 1218 2162 518 948 1923 1506 614 1951 1449 2653 2481 2768 2545 1683 2362 -1393 4944 1219 3076 1804 3477 3063 1561 687 2233 2029 1237 2033 647 -1405 142 4829 6331 1024 2682 -359 2144 431 1458 -2203 -1829 -1299 -4470 511 -7959 -314 1479 1826 -2011 1693 273 1334 829 -2975 -61 197 -3991 -5298 -638 388 -224 -148 -492 -2531 -3700 -1266 -1517 -1496 -3435 -1315 -774 -589 263 2022 519 853 -553 -336 151 967 689 -1909 1344 534 4085 5129 -76 3261 -471 736 3428 -960 2391 1260 -1491 544 -1258 -850 434 1995 1183 271 -1414 -2183 -3826 SS 20240525T105811.4Z 8911.457077 212 1 51.48 2 77.71 72.70 91.36 232.61 0.00 1 0.00 1 0 17 4.375e-01 1.230e-02 7.806e-02 2.556e-03 6.555232e-01 1.438362e-03 7.733013e-03 -6.000000e+00 2.698577e-01 231.79 -2.00 3.48 -2.00 320.70 0.00e+00 2.238259e-03 6.041609e-04 3.424295e-03 -6.000000e+00 1.177961e-02 285.67 -2.00 20.00 -2.00 320.10 0.00e+00 4.559 0.002 302.00 328.00 3 2.4220e+00 4.5642e-03 5.9404e-02 -6.0000e+00 6.7586e-01 8.4697e-02 5.9547e-03 4.0253e-02 -6.0000e+00 7.2655e-01 -1.9398e-01 5.5842e-03 2.0183e-02 -6.0000e+00 4.3236e-01 7.3414e-02 2.7341e-03 5.5446e-03 -6.0000e+00 1.8385e-01 2.4348e-04 -1.0589e-03 7.5772e-05 9.7976e-05 -6.0000e+00 1.3483e-02 -3.4556e-02 1.8759e-04 12 8 8 10 0 0 64.02 23.44 0.46 -0.03456 -0.04251 63 10 1 5 0 817.070 26.21 20.00 23.44 29.03 4.1 1026.55 -170879 -151190 -70769 -116259 -105653 -131317 -135757 -156295 -176539 -166166 -149641 -107955 -56812 -66434 -78453 23856 -54451 -34083 3991 -11131 -7788 11940 -16584 1183 -14790 -7361 5062 -86 -10456 -45845 -5515 -23495 -123 -9542 -9871 11020 -18877 1330 -317 -7091 3821 3906 -3141 2162 4729 5163 7687 5391 4773 6223 4323 4149 9870 9922 2195 4370 450 5500 3267 1154 1368 2437 3814 2705 2195 2677 299 -1085 4206 5353 1231 2443 745 763 -198 -544 -2993 -4692 -3697 -3304 -872 -4412 -1559 -1329 -371 314 1355 1620 1147 383 -276 -902 -742 -2473 -1797 -18 562 769 424 -520 -1461 -1838 -1077 -205 -1046 -1556 -602 -449 205 698 1335 406 209 -241 -527 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