File name: Pandora75s1_EssexMD_20240626_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T203828.8Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240626_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: 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 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 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 6.077e-01 2.252e-02 2.951e-01 7.217e-03 8.285053e-01 4.303795e-03 9.694779e-03 -6.000000e+00 3.798382e-01 232.84 -2.00 3.48 -2.00 321.90 0.00e+00 3.775915e-03 2.682903e-03 9.387398e-03 -6.000000e+00 1.845295e-02 288.74 -2.00 20.00 -2.00 321.35 0.00e+00 6.411 0.005 302.00 328.00 3 2.3178e+00 1.7795e-02 9.3459e-02 -6.0000e+00 9.5571e-01 5.7575e-01 2.4781e-02 7.8731e-02 -6.0000e+00 1.0394e+00 -8.4395e-01 2.2485e-02 2.9607e-02 -6.0000e+00 6.1200e-01 3.3493e-01 1.0061e-02 6.6014e-03 -6.0000e+00 2.5095e-01 3.7550e-05 -6.4408e-04 2.1542e-04 2.0560e-04 -6.0000e+00 1.9346e-02 2.7400e-03 -5.6931e-05 12 8 8 10 0 0 85.93 23.60 1.13 0.00274 -0.00210 31 5 1 5 0 1646.620 26.32 20.00 23.60 33.05 4.2 1048.62 -209877 -108184 900000 24840 -237406 -156794 900000 -83979 -219880 98887 -115582 900000 12345 900000 900000 -92314 35420 9605 -74739 -112647 900000 900000 -35383 -90632 -41360 900000 -16006 -78865 -3915 900000 104756 -13097 900000 17739 900000 900000 27295 69504 299329 95740 87091 100208 125725 82923 -4485 45080 28534 25558 42727 45102 25674 579 62260 101739 40997 105195 15419 3029 5990 4298 17519 31213 3535 16644 17644 16607 25819 6476 22795 15109 7424 22218 7466 -1949 -5775 9532 4799 6856 -1704 -3095 -3615 -2725 -94 -1596 -4569 -1319 3027 2965 1490 -1667 -1814 2224 -3307 -4233 -6184 1949 -1470 -3922 779 73 -3005 -2800 -2058 -3521 -5293 -3361 -3243 -227 1108 425 2678 -315 -522 -844 -189 1892 -1151 81 -178 1357 954 1346 1726 1068 964 -395 693 1197 1108 293 966 -1139 -141 58 -248 -660 275 1407 -342 469 -415 -561 -1400 -4823 -1036 900000 174 -7578 -2102 900000 -590 -6457 694 -1328 900000 87 900000 900000 -2239 271 104 -2004 -4530 900000 900000 -655 -3066 -898 900000 -276 -2467 -57 900000 736 -326 900000 436 900000 900000 632 1220 2102 1815 2018 2181 2207 2271 -296 1836 1403 1346 2010 2249 1731 56 3585 4286 3368 4728 1732 381 707 504 1845 3134 531 2466 2763 2659 3825 1228 4066 3300 1918 5148 1971 -530 -1480 1894 950 1382 -426 -937 -1300 -1117 -42 -770 -2425 -719 1652 1658 841 -936 -962 1077 -1679 -2307 -3917 1338 -1116 -3505 722 69 -2758 -2335 -1572 -2713 -4375 -2894 -2983 -221 1191 523 3606 -468 -796 -1270 -273 2624 -1672 121 -282 2164 1503 2031 2498 1502 1311 -530 919 1693 1786 497 1813 -2370 -311 137 -580 -1622 686 3501 -855 1107 -1003 -1279 -3147 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 5.041e-01 1.164e-02 1.568e-01 2.682e-03 6.940969e-01 1.496771e-03 8.528701e-03 -6.000000e+00 3.074158e-01 232.84 -2.00 3.48 -2.00 321.13 0.00e+00 4.514081e-03 7.441464e-04 6.177172e-03 -6.000000e+00 1.390222e-02 288.74 -2.00 20.00 -2.00 320.48 0.00e+00 5.169 0.002 302.00 328.00 3 2.1060e+00 5.1791e-03 6.9519e-02 -6.0000e+00 7.7067e-01 8.4340e-02 7.0698e-03 5.2268e-02 -6.0000e+00 8.3213e-01 -1.7345e-01 6.7505e-03 2.4091e-02 -6.0000e+00 4.9617e-01 5.8928e-02 3.1808e-03 5.5822e-03 -6.0000e+00 2.0621e-01 1.8401e-04 4.0279e-06 7.9158e-05 1.3933e-04 -6.0000e+00 1.5640e-02 1.6023e-03 -4.9833e-07 12 9 8 11 8 0 92.32 23.60 0.71 0.00160 0.00163 87 14 1 5 0 590.710 26.32 20.00 23.60 33.94 4.2 1055.09 -261969 -123520 900000 -43699 -218166 -205485 -170969 -176566 -169440 -62357 -94716 -14957 -68081 -112741 -97715 -79094 -44764 -15500 -52933 -91957 55552 -25219 -14376 -58030 -40136 -28856 -47445 -31348 -51182 4443 -13439 -36044 12242 -10347 -10804 410 -6702 346 15178 1572 -3594 4227 6746 5308 -3978 6172 -4821 3434 1696 9246 4122 2814 4615 13365 5953 9913 1183 1218 -986 550 3549 3573 4737 4453 3687 2716 3892 2107 2183 3207 3588 5200 1973 247 -1572 -408 -2774 -1990 -2581 -3204 -2891 -1860 -1695 -1157 -1022 -209 1030 1478 1908 -59 940 -124 -1335 -1880 -1434 879 493 366 -57 -371 -1259 -2375 -1867 -1591 -2172 -1657 -948 -432 662 729 1578 637 40 -314 -438 -37 -94 257 152 481 360 1116 1266 828 726 -560 -381 -40 280 6 -86 -429 -425 -148 -172 -165 344 751 113 492 -556 -352 -677 -4546 -646 900000 -114 -3111 -2540 -1585 -1931 -1933 -267 -608 -50 -534 -1635 -1712 -1406 -655 -190 -1038 -2837 407 -422 -226 -1517 -944 -641 -1303 -729 -1472 80 -344 -1395 339 -390 -410 14 -270 15 702 99 -273 323 533 441 -372 537 -484 331 176 967 506 392 699 2023 1037 1737 233 240 -195 107 695 770 1143 1205 1066 796 1133 652 745 1230 1372 2049 797 106 -631 -147 -970 -708 -1035 -1387 -1461 -1063 -1066 -776 -733 -159 809 1188 1525 -47 689 -87 -924 -1365 -1161 738 483 408 -69 -451 -1458 -2544 -1853 -1578 -2292 -1846 -1117 -547 843 1037 2451 980 63 -477 -686 -56 -144 410 238 772 574 1843 2015 1276 1076 -814 -548 -60 440 11 -167 -837 -879 -325 -378 -381 810 1785 268 1115 -1282 -770 -1462 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 3.631e-01 9.265e-03 9.884e-02 1.712e-03 6.146036e-01 9.352166e-04 7.385680e-03 -6.000000e+00 2.214141e-01 232.84 -2.00 3.48 -2.00 320.52 0.00e+00 2.918701e-03 3.819376e-04 4.014188e-03 -6.000000e+00 9.882406e-03 288.74 -2.00 20.00 -2.00 319.80 0.00e+00 4.452 0.001 302.00 328.00 3 2.1230e+00 2.9561e-03 5.7815e-02 -6.0000e+00 5.5509e-01 2.2282e-02 3.7664e-03 3.9735e-02 -6.0000e+00 5.9935e-01 -8.6188e-02 3.3514e-03 1.8655e-02 -6.0000e+00 3.5721e-01 2.6067e-02 1.6539e-03 4.5704e-03 -6.0000e+00 1.4802e-01 3.8739e-04 5.3600e-05 5.1234e-05 9.6123e-05 -6.0000e+00 1.1256e-02 1.1251e-03 -1.4687e-05 11 8 0 10 0 0 48.04 23.61 0.64 0.00113 0.00153 118 19 1 5 0 436.930 26.32 20.00 23.61 34.66 4.2 1059.23 -158571 -113676 153225 -94811 -132265 -139661 -91796 -135698 -93998 -84875 -82563 -18287 -66933 -63218 -53885 -38464 -32770 -15730 -39752 -36733 5085 -7365 -22137 -29813 -16100 -15580 -23641 -22991 -19083 -8626 -13208 -15900 3165 -11569 -8181 -7195 -12916 -4656 2027 -163 -2901 1980 992 2777 -187 3057 2537 1238 -1628 1781 1145 1323 2962 7400 2087 4545 1872 -88 -197 266 676 2878 3150 3678 2132 2158 1851 663 2088 2684 1879 2650 1481 -520 -477 -1339 -2730 -2768 -2575 -2422 -1569 -1601 -1620 -1346 -628 368 796 1123 977 560 663 -143 -1026 -1084 -555 -258 426 62 376 -631 -1115 -2135 -1427 -1118 -1319 -1163 -853 -182 521 858 1211 577 301 -288 -318 28 -70 299 597 301 457 808 813 792 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