File name: Pandora75s1_EssexMD_20250601_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250602T050833.1Z 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_20250601_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: 20250601 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 --------------------------------------------------------------------------------------- SU 20250601T103027.3Z 9283.437816 264 1 6.49 2 82.27 67.67 124.10 7.79 0.00 1 0.00 1 0 17 6.817e-01 4.291e-02 4.719e-01 3.036e-02 1.046829e+00 1.873896e-02 1.126910e-02 -6.000000e+00 4.265092e-01 232.11 -2.00 3.48 -2.00 322.21 0.00e+00 -2.115286e-03 1.040201e-02 6.318674e-03 -6.000000e+00 2.143415e-02 286.25 -2.00 20.00 -2.00 321.71 0.00e+00 6.913 0.006 302.00 328.00 3 1.7541e+00 7.4725e-02 9.6227e-02 -6.0000e+00 1.0771e+00 1.7117e+00 8.9001e-02 7.0677e-02 -6.0000e+00 1.1768e+00 -2.2447e+00 5.1348e-02 2.8124e-02 -6.0000e+00 6.9237e-01 8.7337e-01 2.5915e-02 8.4557e-03 -6.0000e+00 2.8310e-01 2.6002e-05 -4.5053e-04 8.3858e-04 1.5559e-04 -6.0000e+00 2.2389e-02 8.4570e-03 -1.5094e-05 12 9 9 12 1 1 999.00 23.50 1.03 0.00846 0.00507 2 4 1 5 0 2160.630 26.21 20.00 23.50 18.21 6.3 959.63 -48692 113936 900000 900000 -4966 -79643 7017 97704 36438 17393 -60902 900000 900000 89162 900000 900000 42621 89508 900000 190513 900000 172280 900000 900000 77647 64868 900000 -3097 14779 900000 39699 33054 900000 250395 900000 900000 67946 78453 900000 150192 38539 146318 133084 900000 -6430 39922 -25748 39915 -2811 240791 70849 16517 146451 900000 277243 279131 79180 22558 23328 2663 30858 40869 48790 53136 13345 94620 25279 14942 16047 13007 38 61647 -294 25847 -18546 -5556 25241 1978 38503 -13292 4991 -7768 10299 5635 2562 8589 -5167 7383 9237 -8173 3644 -20399 -3455 -10351 -8024 11042 5398 -11320 6806 -911 -178 -4952 -1402 -4463 -11626 -10344 -1313 -882 1881 325 2952 2108 -2887 -458 -4911 3960 -5150 2118 -4073 1338 5187 2517 8065 1360 3913 -568 3852 -1789 5618 686 -135 -1521 -1376 2059 -2118 299 205 2269 1482 1028 -1964 -2331 -2762 -5985 3361 900000 900000 -280 -8116 282 2882 1075 606 -4573 900000 900000 2630 900000 900000 2172 2880 900000 5620 900000 5082 900000 900000 2290 1914 900000 -149 555 900000 1384 1418 900000 7386 900000 900000 2004 2314 900000 4430 2377 4316 3926 900000 -626 2355 -2886 2355 -265 7103 3762 1657 4320 900000 8178 8234 5139 2462 2340 306 2640 3376 4174 4859 1929 6141 3356 2336 2746 2571 9 8183 -69 4270 -4213 -983 3127 327 5111 -3568 1325 -2704 3311 2028 1005 3319 -2363 3005 3624 -3641 1354 -9267 -1345 -4733 -4190 5700 3503 -9137 5001 -728 -133 -3828 -951 -3067 -8986 -8360 -1042 -770 1660 339 3435 2708 -4057 -630 -6915 5045 -7334 2931 -6247 1963 7080 3347 9711 1692 4607 -686 4504 -2432 8286 1239 -256 -3212 -3146 4915 -5638 810 523 6142 3939 2575 -4665 -5152 -5954 SU 20250601T103310.4Z 9283.439704 267 1 51.79 2 81.78 68.08 124.04 8.54 0.00 1 0.00 1 0 17 4.652e-01 2.231e-02 9.904e-02 3.137e-03 9.836007e-01 1.807939e-03 1.208326e-02 -6.000000e+00 2.826589e-01 232.11 -2.00 3.48 -2.00 322.02 0.00e+00 1.268681e-02 1.125818e-03 1.067026e-02 -6.000000e+00 1.269538e-02 286.25 -2.00 20.00 -2.00 321.52 0.00e+00 6.557 0.005 302.00 328.00 3 5.1390e-01 7.2959e-03 9.5686e-02 -6.0000e+00 7.0790e-01 1.0014e+00 9.8712e-03 7.2049e-02 -6.0000e+00 7.6538e-01 -1.4040e+00 8.4873e-03 3.6487e-02 -6.0000e+00 4.5593e-01 5.6472e-01 3.8270e-03 1.1966e-02 -6.0000e+00 1.8907e-01 1.5308e-04 -3.5287e-04 8.1317e-05 4.0327e-04 -6.0000e+00 1.4433e-02 9.0675e-03 1.7111e-05 12 9 8 11 8 0 7.52 23.50 0.72 0.00907 0.00642 137 22 1 5 0 377.900 26.21 20.00 23.50 18.30 6.3 960.69 -218233 -109344 900000 -77001 -129173 -162977 -129851 -133034 -156374 -104158 -126753 -69483 -41553 -92734 -31464 -22463 -15916 -16109 22077 -46560 79767 -11875 25486 -2690 -22372 -75 -57925 -50452 -55527 5737 -4474 -40031 31442 6891 6866 35528 27847 52763 101166 35656 25907 43341 44205 47368 20385 49922 24221 45882 37909 73787 29775 43099 40909 75321 43416 51992 30213 31719 20003 9412 22819 23575 27959 26027 22623 20906 19438 12799 17731 16968 15797 18421 9868 6016 3553 -1929 -740 4857 -2502 1142 1195 1240 2273 1244 1818 1517 1742 1735 2173 -2244 -948 -4487 -4017 -4195 -5194 -2162 -1257 -799 -718 -1493 -2570 -4219 -3296 -2984 -3700 -3768 -2467 -2264 -508 -145 638 -334 -857 -999 -880 -917 -378 -253 492 1217 1941 2546 3211 2227 1717 635 1149 -256 1595 1164 342 372 -127 -170 -251 113 323 700 125 354 -666 -1102 -2277 -11228 -2159 900000 -1049 -2586 -4079 -2203 -2294 -3392 -1332 -2080 -734 -428 -2115 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328.00 3 5.7590e-01 5.7465e-03 9.9832e-02 -6.0000e+00 9.2214e-01 7.2257e-01 8.0519e-03 8.8853e-02 -6.0000e+00 9.9708e-01 -1.0360e+00 7.4052e-03 3.9952e-02 -6.0000e+00 5.9395e-01 4.1884e-01 3.3269e-03 9.1062e-03 -6.0000e+00 2.4624e-01 2.1852e-04 -5.2077e-04 6.6235e-05 3.2669e-04 -6.0000e+00 1.8806e-02 9.6697e-03 -1.5262e-05 12 8 8 10 0 0 13.30 23.50 0.70 0.00967 0.00576 165 27 1 5 0 312.530 26.21 20.00 23.50 18.49 6.4 962.66 -271536 -181352 900000 -174054 -161858 -222857 -192691 -187465 -209826 -131114 -170906 -122094 -134982 -96010 -104682 -60188 -62507 -53838 -52530 -68830 36752 -53776 -1650 -46557 -53061 -34698 -62568 -74929 -55967 -17468 -7072 -32653 21194 -7424 -16315 28223 -3457 36567 29053 18511 9957 32163 40939 35118 19015 24893 21565 23629 24493 44276 29314 28234 30541 51738 31475 34496 20819 25750 12154 14972 15490 16303 17704 21956 15674 15703 18889 9737 14653 12677 10554 12985 7728 3185 3073 -634 -1832 1358 -1555 277 -328 850 371 435 71 505 1235 2019 1597 -2003 -127 -3690 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