File name: Pandora75s1_EssexMD_20251021_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20251022T045448.3Z 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_20251021_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: 20251021 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 20251021T115510.6Z 9425.496651 50 1 51.81 2 84.73 108.71 86.61 111.92 0.00 1 0.00 1 0 25 7.508e-01 3.863e-02 3.201e-01 1.682e-02 8.078989e-01 9.813518e-03 8.365350e-03 -6.000000e+00 4.541616e-01 225.69 -2.00 3.48 -2.00 322.21 0.00e+00 -1.758640e-02 5.613753e-03 1.163466e-02 -6.000000e+00 2.195690e-02 284.75 -2.00 20.00 -2.00 321.72 0.00e+00 9.431 0.015 302.00 328.00 3 6.8697e-01 3.9907e-02 1.3146e-01 -6.0000e+00 1.1230e+00 1.1806e+00 4.8366e-02 1.1822e-01 -6.0000e+00 1.2272e+00 -1.7479e+00 3.1645e-02 2.7966e-02 -6.0000e+00 7.2621e-01 7.1270e-01 1.5631e-02 1.8319e-02 -6.0000e+00 3.0863e-01 1.2645e-05 3.3006e-03 5.3082e-04 1.0095e-04 -6.0000e+00 2.4868e-02 1.2520e-02 3.7350e-05 12 8 8 10 0 0 29.07 23.51 2.08 0.01252 0.03732 28 5 1 5 0 1850.050 26.21 20.00 23.51 15.77 7.6 935.29 900000 -10422 900000 900000 -66713 1796 900000 -31565 -35728 82036 57386 349350 900000 900000 900000 -150 30907 12142 -5794 -47216 221008 355977 119960 32062 4497 18265 112950 613 -58000 900000 27226 -31509 900000 25879 107640 900000 182656 -41454 900000 900000 78231 900000 128773 900000 4639 400152 27849 32547 46346 900000 67605 67739 46190 900000 107611 165295 43956 6119 -12021 28195 -17460 122114 1879 -7599 26142 2023 40376 11717 93147 41108 15504 37316 12942 -18153 -5605 31993 25070 61784 -2153 -23284 -3265 3788 8089 114 111 -4424 -4558 11018 1917 -9288 5012 10034 5801 -4973 -4368 11262 2364 -2648 7478 926 -3686 -8839 -9573 -7542 -6567 -5420 -2404 4926 -2325 -1833 9810 -1167 -4349 -3418 182 3694 -1539 -1124 -1507 1797 2838 2148 3549 -957 3328 -2816 6543 -4713 5134 1299 -1755 1327 -396 -1916 196 -902 837 2713 -1778 2373 -541 -767 -2458 900000 -639 900000 900000 -4636 64 900000 -1830 -2337 1707 1535 5712 900000 900000 900000 -9 1424 668 -370 -4351 3613 5820 1961 1382 274 977 2182 32 -4828 900000 1012 -2295 900000 1116 1920 900000 2986 -4067 900000 900000 3488 900000 3445 900000 379 6542 1656 2022 2576 900000 3537 3876 3549 900000 5102 4594 4168 820 -1808 2674 -2598 4792 270 -1305 3291 321 4423 1820 7158 5982 3143 6223 2666 -4719 -1155 4080 3279 5859 -440 -6928 -929 1146 2579 42 44 -1946 -2087 4377 821 -4252 1877 3445 2105 -2187 -2193 5653 1508 -2009 5465 716 -2802 -6489 -6714 -5315 -4896 -4262 -1977 4140 -2372 -2122 11276 -1595 -6244 -4784 239 4627 -2085 -1597 -2259 2657 4079 3006 4758 -1305 4233 -3738 8045 -7112 8042 2400 -3365 2671 -872 -4608 494 -2397 2235 7157 -4795 5817 -1279 -1726 -5605 SS 20251021T120743.9Z 9425.505370 53 1 51.45 2 82.44 110.79 84.46 113.97 0.00 1 0.00 1 0 17 4.770e-01 1.814e-02 1.352e-01 3.194e-03 7.044930e-01 1.743380e-03 9.251975e-03 -6.000000e+00 2.828362e-01 225.69 -2.00 3.48 -2.00 321.52 0.00e+00 1.014558e-02 9.697525e-04 8.677614e-03 -6.000000e+00 1.276419e-02 284.75 -2.00 20.00 -2.00 320.96 0.00e+00 7.053 0.006 302.00 328.00 3 5.5225e-01 6.4557e-03 8.7852e-02 -6.0000e+00 6.9785e-01 3.6765e-01 8.7334e-03 5.9064e-02 -6.0000e+00 7.5849e-01 -5.5145e-01 8.0647e-03 3.0310e-02 -6.0000e+00 4.5357e-01 2.2643e-01 3.7308e-03 9.1363e-03 -6.0000e+00 1.8952e-01 1.4660e-04 -4.4957e-04 9.4500e-05 2.7375e-04 -6.0000e+00 1.4759e-02 1.2590e-02 -4.5096e-05 12 9 8 11 8 0 15.74 23.51 0.78 0.01259 0.00921 115 19 1 5 0 447.320 26.21 20.00 23.51 17.32 7.6 946.82 -275405 -139814 190451 -104080 -152271 -133523 -137703 -175556 -155984 -89074 -74461 -74222 -37609 -45458 -67456 -54490 -23757 -12091 -18236 -46076 24941 -7495 -3398 -24675 -33152 10103 -48447 -12269 -36103 -1450 -646 -8978 33844 6263 7161 22500 25632 -10263 41431 23077 17088 19002 11790 25082 6638 26585 13209 21159 16038 29883 19795 20364 17652 30572 15143 14320 7830 6553 2319 5835 10422 8388 11939 9523 9055 7913 8783 2949 6920 7597 4931 4960 3682 -458 202 -922 -2406 1127 -4229 -2597 -2279 -2523 -1470 -1299 -894 -426 -104 611 808 -1405 -455 -1927 -1931 -3316 -3196 -1080 -454 -391 138 -585 -1126 -2548 -2528 -2120 -2840 -2308 -982 -188 127 604 1421 667 -405 -838 -1014 -211 -248 282 544 1025 1329 1435 1734 1325 906 -125 951 -270 1315 458 -53 -345 -363 -323 -15 271 212 672 6 379 -606 -664 -1459 -13180 -2019 593 -1091 -2372 -1626 -1755 -3430 -2650 -807 -611 -694 -309 -528 -1242 -1065 -390 -195 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2.3109e-03 6.7954e-02 -6.0000e+00 5.9601e-01 9.3624e-02 2.9840e-03 3.9705e-02 -6.0000e+00 6.4774e-01 -1.4077e-01 2.7271e-03 2.0340e-02 -6.0000e+00 3.8735e-01 4.8321e-02 1.3290e-03 5.8397e-03 -6.0000e+00 1.6190e-01 6.2065e-04 -1.0226e-04 4.0488e-05 1.2891e-04 -6.0000e+00 1.2600e-02 1.1556e-02 -6.3018e-06 12 8 8 10 0 0 20.80 23.51 0.58 0.01156 0.01079 264 43 1 5 0 195.570 26.21 20.00 23.51 18.41 7.5 952.13 -213277 -142171 -84816 -112984 -142031 -135793 -112751 -145306 -112545 -98779 -113245 -86172 -73127 -78866 -45430 -36183 -30020 -11206 -26799 -33760 -23468 -23809 -26383 -17695 -21242 -15769 -33150 -26827 -26884 -12155 -14699 -17665 -1859 -9684 -7726 -9852 -7385 -10285 5416 927 821 4818 2063 4896 611 5341 2917 4245 1875 7436 2165 4512 4126 6513 4455 4739 3122 1359 703 369 1811 3816 4182 4434 3219 2031 1604 1297 2012 3062 2177 2790 1382 -71 -822 -2157 -3104 -3008 -3484 -1809 -1654 -1861 -1444 -1711 -659 -350 592 1188 1127 645 295 -459 -1386 -1223 -1332 -402 374 426 189 -719 -1324 -1980 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