File name: Pandora75s1_EssexMD_20241102_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T142435.5Z 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_20241102_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: 20241102 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 20241102T121942.4Z 9072.513686 53 1 51.09 2 82.95 115.99 95.20 114.63 0.00 1 0.00 1 0 25 5.732e-01 3.290e-02 2.341e-01 8.328e-03 7.178231e-01 4.731366e-03 1.056494e-02 -6.000000e+00 3.429233e-01 224.59 -2.00 3.48 -2.00 321.78 0.00e+00 1.558100e-02 2.722915e-03 1.406433e-02 -6.000000e+00 1.596018e-02 283.18 -2.00 20.00 -2.00 321.25 0.00e+00 7.482 0.007 302.00 328.00 3 1.5365e+00 1.8214e-02 1.0626e-01 -6.0000e+00 8.4663e-01 8.9085e-01 2.1980e-02 8.0297e-02 -6.0000e+00 9.2458e-01 -1.2743e+00 1.5622e-02 2.7677e-02 -6.0000e+00 5.4847e-01 5.3299e-01 7.4503e-03 5.3725e-03 -6.0000e+00 2.2887e-01 3.2559e-05 -1.2009e-03 2.5990e-04 4.0140e-04 -6.0000e+00 1.8011e-02 1.0776e-02 -1.3067e-04 12 8 8 10 0 0 99.32 23.43 1.01 0.01078 0.00175 38 6 1 5 0 1344.380 26.21 20.00 23.43 16.09 5.6 930.70 -140621 47743 900000 71439 -10993 -38704 900000 33269 -59618 105901 14419 42464 900000 900000 20509 16782 52309 143446 42044 16764 900000 106978 341032 28064 5772 121965 65495 -10135 37627 900000 92951 26552 900000 80941 65621 900000 74211 40009 203935 88889 69852 165837 108237 69354 21919 101371 52790 33300 56652 130310 52507 38372 48495 126464 36828 69281 27658 20931 19649 16425 12514 34602 23394 27933 23248 -3914 32257 12827 22428 20806 4973 27957 1200 -1557 5006 8407 -40 20811 -9007 -8500 -1609 -5538 -6076 -199 -2857 -1529 -1651 1756 598 -4374 93 -7924 -1416 -8112 -9033 -827 -1191 -1359 969 93 -1971 -4716 -5541 -5882 -5966 -5219 -2079 -1372 -77 79 4246 398 -1516 -1850 -869 555 -34 -912 541 3074 2709 3279 3082 2539 1687 -60 2516 -1846 2953 1107 1825 223 161 140 -214 -603 -773 441 -817 716 -561 -581 -2163 -16345 1021 900000 1106 -332 -1341 900000 491 -2154 859 234 563 900000 900000 650 643 1542 1798 1488 754 900000 1735 2765 910 226 1439 1304 -411 943 900000 1713 1116 900000 2267 2032 900000 2287 1914 2150 3316 3399 3228 3862 3712 1902 4028 3467 2727 3813 4438 4215 3858 4719 5948 4360 5955 3566 2801 2565 2184 1796 4377 3737 4734 4336 -952 5441 2715 4692 4943 1496 6869 376 -467 1275 1868 -9 4017 -2659 -2964 -613 -2497 -3016 -99 -1557 -870 -984 1037 356 -2639 51 -4408 -725 -4690 -5977 -592 -1003 -1193 900 88 -1787 -4008 -4857 -5185 -5574 -5151 -1937 -1385 -86 98 5662 586 -2302 -2754 -1234 760 -48 -1358 838 4784 4190 4883 4448 3563 2309 -81 3320 -2724 4697 2026 3661 447 344 319 -521 -1542 -2028 1154 -2137 1762 -1314 -1289 -4784 SS 20241102T123021.3Z 9072.521080 56 1 52.01 2 81.11 117.81 93.42 116.23 0.00 1 0.00 1 0 17 4.234e-01 1.724e-02 1.673e-01 3.685e-03 6.325294e-01 1.996169e-03 8.350433e-03 -6.000000e+00 2.520924e-01 224.59 -2.00 3.48 -2.00 321.12 0.00e+00 8.906941e-03 9.798626e-04 6.807236e-03 -6.000000e+00 1.146721e-02 283.18 -2.00 20.00 -2.00 320.53 0.00e+00 6.126 0.004 302.00 328.00 3 1.8575e+00 6.8126e-03 7.4369e-02 -6.0000e+00 6.2067e-01 2.0319e-01 8.9711e-03 4.7128e-02 -6.0000e+00 6.7531e-01 -3.0046e-01 8.4077e-03 2.6092e-02 -6.0000e+00 4.0262e-01 1.2079e-01 4.0058e-03 8.8997e-03 -6.0000e+00 1.6846e-01 1.0270e-04 8.2046e-05 1.1287e-04 2.1916e-04 -6.0000e+00 1.3191e-02 7.6937e-03 3.8267e-05 12 8 8 10 0 0 99.87 23.42 0.75 0.00769 0.00831 53 9 1 5 0 981.290 26.21 20.00 23.42 16.51 5.5 933.04 -270678 -131699 900000 -86857 19620 -176226 900000 -151478 -129506 -79985 -109183 -8505 -52150 162656 -33239 -28676 -26009 24018 -48416 -30162 28731 28579 40091 -43726 -4162 -2413 -16421 -48897 965 48332 1418 -6797 24789 4827 -4297 32429 -20399 -153 16073 18828 6160 18639 17104 15050 762 20351 19842 5224 12455 17488 14406 5595 13603 18395 9100 17332 -945 5307 -1570 4629 1462 8039 8355 5018 6846 -5243 7060 797 7188 4181 3794 5591 483 -2511 684 -2910 -2143 157 -4533 -4489 -2761 -2406 -4632 -1086 -1539 -4 -908 1349 855 -964 111 -2592 -2075 -2967 -1591 -296 438 -176 1035 398 -1230 -1542 -2902 -1417 -1722 -1503 -1204 -337 1031 943 2231 523 48 -564 -655 -386 -238 43 543 421 765 1298 1513 1201 736 -60 221 -822 780 312 -138 -487 -312 -320 68 17 17 632 -139 460 -168 -452 -1035 -12287 -1763 900000 -794 70 -3511 900000 -2572 -1903 -757 -1462 -47 -562 584 -537 -536 -542 336 -1513 -823 444 441 562 -1477 -99 -58 -460 -1879 23 781 43 -269 819 208 -201 1048 -1209 -9 912 1217 507 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2.2975e-03 1.6115e-02 -6.0000e+00 2.6348e-01 2.5011e-02 1.1634e-03 5.0518e-03 -6.0000e+00 1.1025e-01 5.3982e-04 -1.8496e-04 4.1622e-05 8.2650e-05 -6.0000e+00 8.6097e-03 8.5485e-03 -9.8152e-06 12 8 8 10 0 0 96.04 23.42 0.57 0.00855 0.00716 144 23 1 5 0 359.430 26.21 20.00 23.42 16.79 5.6 935.29 -155871 -85597 -68966 -96748 -88746 -95793 -77741 -92086 -82388 -87083 -53146 -52404 -27773 -42933 -32607 -26866 -20596 -14074 -16037 -23492 -12176 -10965 -8635 -12128 -14909 -10831 -16926 -16039 -15071 -7056 -7790 -9346 -2372 -7617 -7895 -6672 -4840 -5269 1013 1118 432 2223 2828 3503 1944 4915 2068 841 2358 3595 3069 2806 3615 4970 2450 3593 1938 677 -86 295 1210 3062 3813 3311 2934 81 1192 673 1644 2642 1529 2075 632 -97 -379 -1776 -2175 -2144 -2934 -2607 -1878 -2356 -2008 -1866 -656 -334 412 1171 826 450 245 -503 -952 -1083 -899 -186 613 657 296 -456 -1049 -1541 -1086 -1043 -1337 -1249 -663 -107 644 913 1094 666 260 -207 -499 -192 78 299 275 438 592 785 932 705 571 -139 52 -63 303 -223 -242 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