File name: Pandora75s1_EssexMD_20241113_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241114T050255.3Z 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 v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241113_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: 20241113 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 20241113T122117.7Z 9083.514788 192 1 51.31 2 85.02 118.42 123.46 318.14 0.00 1 0.00 1 0 25 6.656e-01 5.723e-02 2.610e-01 2.092e-02 8.791156e-01 1.270508e-02 1.025389e-02 -6.000000e+00 4.050391e-01 223.66 -2.00 3.48 -2.00 321.84 0.00e+00 1.900216e-02 4.522128e-03 6.331061e-03 -6.000000e+00 1.970815e-02 281.86 -2.00 20.00 -2.00 321.37 0.00e+00 9.852 0.017 302.00 328.00 3 -2.2920e-01 4.1343e-02 1.2039e-01 -6.0000e+00 1.0013e+00 1.9848e+00 4.7176e-02 8.7953e-02 -6.0000e+00 1.0934e+00 -2.2847e+00 2.4991e-02 2.2079e-02 -6.0000e+00 6.4600e-01 8.5017e-01 1.4462e-02 2.2057e-02 -6.0000e+00 2.7465e-01 1.3048e-05 -4.1161e-03 6.1131e-04 2.4268e-04 -6.0000e+00 2.1437e-02 -2.1885e-02 -8.8641e-06 12 9 8 11 32 0 2.60 22.88 2.24 -0.02189 -0.05282 27 4 1 5 0 1900.280 25.79 20.00 22.88 9.37 5.6 885.45 85 152004 82844 145577 -43780 35807 123994 67498 -44865 -28851 -39394 24387 900000 414448 13527 125391 84810 70574 900000 900000 900000 900000 32146 111567 21692 63260 900000 900000 900000 -34316 93788 1530 25106 47607 900000 900000 -33804 -2007 130777 -7919 4545 48895 -2098 96436 107914 111790 111772 51784 221208 900000 68719 93912 900000 109441 17103 25514 28305 82268 99300 23759 -22168 36953 5086 14716 23924 -40342 -9402 34846 125362 201485 -3760 -1826 29842 -22082 17623 10627 -13328 -16045 24504 157 25252 -45404 7407 27395 8082 -3343 28215 13911 16045 8670 -16851 -19025 11554 -24814 -7294 13115 6605 10760 3259 10906 -4047 -5706 2745 8459 6310 -2005 -984 -4783 -2986 394 7647 -3059 -1612 -2886 1601 -1795 -113 1119 -3624 -709 1637 3922 10842 -5506 6104 -5971 -1315 6310 -2839 3093 -325 -2039 932 -2927 -3464 966 1803 4779 534 241 -1137 -2793 20 8505 8849 7158 -11357 3339 3994 3319 -6010 -2935 -4074 1365 900000 8433 1537 5798 6275 6135 900000 900000 900000 900000 2616 3715 1605 2808 900000 900000 900000 -3491 3123 150 2136 3258 900000 900000 -4252 -193 3628 -952 504 3527 -252 4281 4192 4136 4135 3544 4501 900000 4576 5211 900000 5668 2246 3020 3141 5524 5253 2562 -3834 3835 817 2395 3748 -11984 -2047 5034 7907 6559 -1018 -490 5586 -6335 3012 1730 -2603 -3362 3939 39 5703 -23742 2502 8026 3026 -1469 9357 5406 6039 3369 -7920 -8671 3855 -12773 -3636 6351 4059 7356 2626 8210 -3335 -4319 1743 4991 3993 -1465 -765 -4252 -2953 433 8869 -4276 -2286 -4111 2123 -2428 -154 1582 -5656 -1100 2432 5467 13589 -7875 7551 -8176 -1734 8384 -4776 5665 -692 -4400 2104 -7384 -9392 2624 4971 12914 1484 638 -2851 -6681 SS 20241113T123316.3Z 9083.523106 195 1 51.68 2 83.01 120.43 124.84 321.13 0.00 1 0.00 1 0 17 4.041e-01 2.166e-02 8.279e-02 3.807e-03 7.327219e-01 2.154016e-03 9.629866e-03 -6.000000e+00 2.414242e-01 223.66 -2.00 3.48 -2.00 321.50 0.00e+00 1.101784e-02 1.076254e-03 7.681939e-03 -6.000000e+00 1.070416e-02 281.86 -2.00 20.00 -2.00 321.00 0.00e+00 7.534 0.008 302.00 328.00 3 1.6029e-05 7.4763e-03 9.0083e-02 -6.0000e+00 5.9392e-01 6.7825e-01 9.6637e-03 5.4321e-02 -6.0000e+00 6.4293e-01 -9.4217e-01 8.2534e-03 3.0223e-02 -6.0000e+00 3.8419e-01 3.8780e-01 3.9322e-03 1.0591e-02 -6.0000e+00 1.6521e-01 1.4616e-04 -2.4967e-03 1.1259e-04 2.7071e-04 -6.0000e+00 1.2429e-02 -2.4383e-02 1.2487e-04 12 8 8 10 0 0 2.83 22.88 0.84 -0.02438 -0.04314 112 18 1 5 0 461.370 25.79 19.99 22.88 10.15 5.6 891.80 -163602 -100973 -60140 -93000 -120967 -84455 -104101 -116951 -135333 -128088 -133307 -93558 -72673 -74065 -81290 29694 -3012 11587 123810 29601 55977 18905 2908 -6473 -18176 -19448 38610 13632 -13116 -38716 15497 -1852 1440 16534 20078 64496 -7688 29113 33605 8389 17139 10395 9065 35748 29542 28787 37751 29019 38087 29596 23105 22485 29987 35479 16906 17894 13336 13311 11193 12745 4382 11547 12368 17092 15444 3488 8453 9092 11349 14837 6507 6075 8648 1629 2994 -735 -4618 -5938 -2438 -3322 -2968 -5545 -261 1093 -487 -252 1624 1817 580 -612 -3684 -5459 -2999 -6657 -5183 -2734 -1272 -1201 -824 -752 -1753 -3051 -2832 -2194 -2967 -2407 -1803 -878 321 765 1482 -47 -311 -193 31 -714 -7 53 808 1131 1588 2488 2569 1687 1895 103 244 868 195 567 53 -76 -95 -479 -77 45 724 564 -167 -144 -840 -1936 -7951 -3033 -1258 -2574 -3919 -1710 -2459 -3158 -4476 -3977 -4409 -2273 -1766 -2350 -3484 501 -79 285 1045 649 926 434 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7.1871e-02 -6.0000e+00 6.7676e-01 2.2917e-01 7.3700e-03 3.9149e-02 -6.0000e+00 7.3258e-01 -2.7865e-01 7.3795e-03 2.4344e-02 -6.0000e+00 4.3775e-01 1.0019e-01 3.4841e-03 9.9328e-03 -6.0000e+00 1.8827e-01 6.1429e-04 -1.6546e-03 8.4769e-05 1.8347e-04 -6.0000e+00 1.4160e-02 -2.5204e-02 1.3065e-04 12 9 8 11 16 0 9.64 22.88 0.51 -0.02520 -0.03764 250 41 1 5 0 206.570 25.79 20.00 22.88 10.86 5.5 895.72 -178980 -127376 -138797 -141076 -157617 -170774 -145918 -155536 -127675 -148729 -138141 -96973 -100702 -61662 -24910 -46028 -29098 -15393 -24944 -32598 -24239 -39421 -43453 -23006 -33496 -8065 -17154 -44157 -30404 -39351 -26118 -16345 -85 -8571 -16093 -11875 -1996 -9004 2270 7046 4130 8768 1466 6683 2727 8631 4408 8366 5824 3612 2460 8286 7658 6829 3715 4674 4143 1906 2606 1983 4087 4354 4868 7158 2851 5610 -176 1286 2740 4411 2634 3748 1993 1199 -170 -3401 -4575 -4581 -2703 -2075 -15 -1912 -1069 -1415 -398 25 715 1085 1138 1085 -472 -712 -2141 -1795 -1469 -1162 19 360 295 -370 -904 -1765 -1435 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