File name: Pandora187s1_PittsburghPA_20210930_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074731.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20210930_L1_smca1c2d20210902p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20210930 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: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20210930T114758.6Z 7943.491650 359 1 10.91 2 84.72 98.51 17.34 150.05 0.00 1 0.00 1 0 25 5.519e-01 1.119e-01 6.509e-01 1.247e-01 9.267323e-01 7.960439e-02 1.161421e-02 -6.000000e+00 3.465730e-01 227.50 -2.00 3.49 -2.00 322.04 0.00e+00 -7.656528e-03 2.971501e-02 4.856150e-03 -6.000000e+00 2.065512e-02 285.04 -2.00 20.00 -2.00 321.43 0.00e+00 9.418 0.015 302.00 328.00 3 6.7148e-01 2.7235e-01 1.0644e-01 -6.0000e+00 8.6474e-01 1.5023e+00 3.2137e-01 5.5892e-02 -6.0000e+00 9.5466e-01 -2.0549e+00 1.8630e-01 2.6799e-02 -6.0000e+00 5.6502e-01 8.7926e-01 1.0250e-01 7.4069e-03 -6.0000e+00 2.4539e-01 1.1284e-05 -8.2859e-03 3.8258e-03 1.8120e-04 -6.0000e+00 1.7860e-02 1.0597e-02 -5.4480e-05 12 9 9 12 1 1 999.00 18.95 1.62 0.01060 -0.05167 2 4 1 5 0 3575.950 22.29 15.01 18.95 15.96 10.5 908.29 900000 900000 900000 5533 -50573 -97033 900000 137085 900000 -57175 134292 900000 -77922 900000 -32264 900000 -11236 900000 900000 900000 900000 900000 45441 900000 900000 900000 900000 900000 900000 900000 900000 18117 900000 900000 900000 -73660 900000 -81266 -35672 900000 -4985 24558 21766 900000 119774 900000 900000 900000 50165 900000 900000 145670 -61128 118788 122860 40672 96041 9381 900000 -85106 215581 4997 900000 -16774 900000 8128 89459 -13244 75529 51789 10892 39865 -31006 23763 -66552 53741 -71407 93914 -22614 50549 -46043 158891 14588 -5897 3683 -7361 1858 100431 28533 51395 -12538 9196 -5694 2750 33347 -4743 15912 -19289 28088 19091 18244 -21061 7419 -3000 -1780 -4880 -19817 10154 7869 -14091 -1628 8109 473 17527 -9517 3329 -5100 5919 15039 18568 -4697 -6195 -9270 -1053 4435 -2417 2650 -4190 24628 -1442 4488 400 -3664 200 5641 -10530 1913 -3985 -2583 617 9784 2747 900000 900000 900000 667 -6098 -11701 900000 16531 900000 -6895 16194 900000 -9396 900000 -3891 900000 -1355 900000 900000 900000 900000 900000 5480 900000 900000 900000 900000 900000 900000 900000 900000 2185 900000 900000 900000 -8882 900000 -10691 -4302 900000 -601 2961 2625 900000 14443 900000 900000 900000 6049 900000 900000 17566 -11392 14324 14815 4905 11581 1131 900000 -18660 25996 603 900000 -2574 900000 980 10788 -2178 9108 6245 2101 5769 -7818 3439 -18969 6480 -20666 11325 -5181 6705 -18878 19160 4046 -2133 1288 -3018 717 14533 8258 11156 -4838 2772 -2060 1028 10857 -2688 8634 -16980 16258 11741 10340 -15746 3937 -1845 -1159 -3472 -17683 7469 6832 -17672 -2023 9681 617 18810 -12968 3974 -6888 7566 18317 21719 -6626 -8441 -12632 -1283 4974 -2827 3036 -5861 30292 -2626 8497 849 -7912 448 12677 -28513 4614 -10136 -6821 1458 19350 5465 SS 20210930T114921.6Z 7943.492612 361 1 46.07 2 84.46 98.73 17.21 151.00 0.00 1 0.00 1 0 25 4.716e-01 2.726e-02 4.918e-01 2.970e-02 9.208320e-01 1.794601e-02 1.153995e-02 -6.000000e+00 2.804309e-01 227.50 -2.00 3.49 -2.00 322.45 0.00e+00 -1.776436e-02 1.093738e-02 8.361280e-03 -6.000000e+00 1.371344e-02 285.03 -2.00 20.00 -2.00 321.96 0.00e+00 9.079 0.014 302.00 328.00 3 1.0552e-01 7.6196e-02 1.0672e-01 -6.0000e+00 7.0382e-01 1.2259e+00 1.0001e-01 6.2404e-02 -6.0000e+00 7.7254e-01 -1.7066e+00 7.8438e-02 3.7133e-02 -6.0000e+00 4.5631e-01 6.8041e-01 3.6390e-02 1.5240e-02 -6.0000e+00 1.9232e-01 3.3497e-05 -3.0582e-03 8.8123e-04 3.5078e-04 -6.0000e+00 1.3976e-02 1.1384e-02 -3.9098e-05 12 8 8 10 0 0 48.44 18.95 1.07 0.01138 -0.01160 34 10 1 5 0 1354.720 22.29 14.99 18.95 15.95 10.5 908.38 900000 900000 -50464 900000 -99270 -76694 -100672 -12888 900000 -13009 47344 -83316 900000 900000 39191 900000 75103 900000 -31351 900000 900000 -69581 54559 41489 198447 -32718 77398 900000 -43976 900000 -60942 44008 900000 900000 78714 64922 162156 34924 16813 186507 1807 60981 33202 21037 84430 91156 90074 -37336 -11730 9493 98930 18677 16775 3593 106670 41618 28036 31858 140143 -11910 -11635 45558 36333 11744 29991 11835 3268 33191 5059 13012 26519 40580 -9166 1782 -14283 -16626 -25581 3218 1093 -1317 -14876 -2559 7901 551 10101 -5038 3932 8069 8407 11140 -5953 -2365 10077 -6556 -4827 -3308 -1821 -219 -1490 3754 -1313 1201 -5881 884 -8792 -4341 -9045 -3793 4429 -887 -29 2797 949 -1863 1174 -2979 263 -66 1925 239 638 2855 -876 420 1697 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1.036363e-02 -6.000000e+00 2.486085e-01 227.50 -2.00 3.49 -2.00 322.37 0.00e+00 -1.105598e-02 7.868606e-03 6.426748e-03 -6.000000e+00 1.146481e-02 285.03 -2.00 20.00 -2.00 321.88 0.00e+00 8.583 0.011 302.00 328.00 3 2.7702e-02 5.3245e-02 1.0097e-01 -6.0000e+00 6.2038e-01 1.0217e+00 7.3089e-02 6.1765e-02 -6.0000e+00 6.7803e-01 -1.4275e+00 6.0804e-02 3.3822e-02 -6.0000e+00 4.0347e-01 5.7067e-01 2.7331e-02 1.0892e-02 -6.0000e+00 1.7013e-01 5.8567e-05 -1.9913e-03 6.0629e-04 2.2968e-04 -6.0000e+00 1.2046e-02 1.1660e-02 -8.1096e-05 12 8 8 10 0 0 -123.01 18.95 0.90 0.01166 -0.00330 50 15 1 5 0 911.480 22.29 14.99 18.95 16.02 10.6 909.44 900000 -18780 900000 -112940 -22832 -155345 -70791 -117198 98657 -162344 -33275 -90240 64150 900000 -63447 900000 3658 900000 -63859 900000 28852 16643 -18617 60838 21070 -28746 -37212 -8374 -33914 52795 -31530 4994 900000 59599 93214 -1827 150027 -1145 78773 120999 69930 8622 28681 8470 12290 79823 11191 27183 -11225 117457 10628 38566 21130 54876 56982 35203 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