File name: Pandora170s1_StGeorge_20250412_L2Fit_fout2c11d20231109p1-8.txt File generation date: 20250822T125434.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Vitali Fioletov Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 170 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora170_OF_v11d20200302.txt Instrument calibration file used: Pandora170s1_CF_v11d20231109.txt Level 1 file used: Pandora170s1_StGeorge_20250412_L1_smca1c11d20231109p1-8.txt Full location name: University of Toronto - Downtown (St. George) campus Short location name: StGeorge Country of location: Canada Location latitude [deg]: 43.6605 Location longitude [deg]: -79.3986 Location altitude [m]: 176 Local noon date: 20250412 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, radiometric temperature correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 215 357 Nominal wavelengths inside fitting window [nm]: 305.0510 305.1920 305.3331 305.4742 305.6152 305.7562 305.8973 306.0383 306.1793 306.3203 306.4612 306.6022 306.7431 306.8841 307.0250 307.1659 307.3068 307.4477 307.5886 307.7295 307.8704 308.0112 308.1520 308.2929 308.4337 308.5745 308.7153 308.8561 308.9968 309.1376 309.2783 309.4191 309.5598 309.7005 309.8412 309.9819 310.1226 310.2633 310.4039 310.5446 310.6852 310.8258 310.9664 311.1070 311.2476 311.3882 311.5287 311.6693 311.8098 311.9504 312.0909 312.2314 312.3719 312.5124 312.6528 312.7933 312.9338 313.0742 313.2146 313.3550 313.4954 313.6358 313.7762 313.9166 314.0569 314.1973 314.3376 314.4780 314.6183 314.7586 314.8989 315.0391 315.1794 315.3197 315.4599 315.6001 315.7404 315.8806 316.0208 316.1610 316.3011 316.4413 316.5814 316.7216 316.8617 317.0018 317.1419 317.2820 317.4221 317.5622 317.7023 317.8423 317.9823 318.1224 318.2624 318.4024 318.5424 318.6824 318.8223 318.9623 319.1022 319.2422 319.3821 319.5220 319.6619 319.8018 319.9417 320.0815 320.2214 320.3612 320.5011 320.6409 320.7807 320.9205 321.0603 321.2000 321.3398 321.4795 321.6193 321.7590 321.8987 322.0384 322.1781 322.3178 322.4575 322.5971 322.7368 322.8764 323.0160 323.1557 323.2953 323.4348 323.5744 323.7140 323.8535 323.9931 324.1326 324.2721 324.4116 324.5511 324.6906 324.8301 324.9696 --------------------------------------------------------------------------------------- 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 20250412T141047.8Z 9233.590831 332 1 50.38 2 53.45 116.15 130.45 301.01 0.00 1 0.00 1 0 17 4.360e-02 1.037e-02 1.432e-02 2.810e-03 3.080582e-01 1.411540e-03 3.692413e-03 -6.000000e+00 2.496562e-02 227.94 -2.00 3.57 -2.00 317.93 0.00e+00 8.565020e-05 2.399003e-04 1.285831e-04 -6.000000e+00 1.079443e-03 277.19 -2.00 20.00 -2.00 317.29 0.00e+00 1.675 0.000 302.00 328.00 3 6.0094e+00 3.7673e-03 2.3140e-02 -6.0000e+00 6.2170e-02 2.1930e-02 4.2613e-03 1.5992e-02 -6.0000e+00 6.7592e-02 3.8874e-02 2.7390e-03 7.9083e-03 -6.0000e+00 4.0135e-02 -2.4434e-02 1.4078e-03 2.2270e-03 -6.0000e+00 1.6866e-02 1.6277e-04 6.4303e-05 8.0981e-05 2.3898e-05 -6.0000e+00 1.1862e-03 -1.2676e-02 0.0000e+00 12 8 8 10 0 0 100.00 22.67 1.25 -0.01268 -0.01219 51 10 1 5 0 986.700 26.62 20.00 22.67 12.76 15.6 1001.38 21796 -892 20134 10077 515 6459 20384 19049 513 13741 -8667 1808 4404 5540 1011 4560 -6122 505 -2721 2277 2252 533 7692 -653 607 3416 3862 -5013 -1998 2217 -2027 988 1665 686 -6439 -3721 -3964 -1978 732 -5632 -3007 -1878 -564 -1594 -863 -1016 1404 -600 -3412 -1874 -558 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302 237 936 77 -961 1435 1004 107 621 -1261 239 -298 -253 -710 1 2163 -22 650 169 -791 -1611 SS 20250412T142233.6Z 9233.598999 341 1 32.10 2 51.56 118.94 132.21 303.90 0.00 1 0.00 1 0 17 1.682e-02 9.529e-03 5.748e-03 1.963e-03 2.948355e-01 9.913180e-04 3.552483e-03 -6.000000e+00 9.625082e-03 227.94 -2.00 3.57 -2.00 316.95 0.00e+00 4.367806e-04 1.299629e-04 1.315894e-04 -6.000000e+00 4.162748e-04 277.19 -2.00 20.00 -2.00 316.32 0.00e+00 1.605 0.000 302.00 328.00 3 5.2753e+00 2.6009e-03 2.2100e-02 -6.0000e+00 2.3968e-02 4.1770e-02 2.9197e-03 1.5197e-02 -6.0000e+00 2.6062e-02 5.2216e-03 1.7395e-03 7.4988e-03 -6.0000e+00 1.5475e-02 -7.2364e-03 8.4695e-04 2.1167e-03 -6.0000e+00 6.5006e-03 3.7083e-04 8.0564e-05 5.5640e-05 2.3406e-05 -6.0000e+00 4.5750e-04 -1.0218e-02 0.0000e+00 12 9 9 12 1 1 99.82 22.67 0.58 -0.01022 -0.00961 13 4 1 5 0 2292.460 26.62 20.00 22.67 12.89 15.5 1001.43 4011 1911 360 -1235 -3798 -1564 -2237 2028 343 3904 -6997 -6808 -348 435 -355 211 -2208 -15 -669 3452 400 835 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-232 -775 46 591 1650 1137 -205 -173 -2052 -1253 -57 -920 -2087 -625 -1707 -473 1029 1259 1018 368 78 -490 327 0 -494 952 440 10 314 767 677 1078 239 -610 1838 1277 167 331 -1618 -558 -424 -100 -647 188 1677 580 110 66 -1633 -1272 SS 20250412T143440.0Z 9233.607407 350 1 50.35 2 49.67 121.94 133.96 307.03 0.00 1 0.00 1 0 17 1.564e-02 9.225e-03 4.200e-03 1.426e-03 2.825183e-01 7.188522e-04 3.406986e-03 -6.000000e+00 8.954446e-03 227.94 -2.00 3.57 -2.00 317.00 0.00e+00 5.700552e-04 9.538527e-05 1.624496e-04 -6.000000e+00 3.872237e-04 277.19 -2.00 20.00 -2.00 316.38 0.00e+00 1.542 0.000 302.00 328.00 3 5.1622e+00 1.8875e-03 2.1206e-02 -6.0000e+00 2.2299e-02 4.0446e-02 2.1199e-03 1.4563e-02 -6.0000e+00 2.4245e-02 4.7185e-03 1.2648e-03 7.1896e-03 -6.0000e+00 1.4396e-02 -7.5590e-03 6.1640e-04 2.0419e-03 -6.0000e+00 6.0484e-03 4.5067e-04 6.2993e-05 4.0579e-05 2.2389e-05 -6.0000e+00 4.2556e-04 -1.1082e-02 0.0000e+00 11 8 0 10 0 0 99.99 22.67 0.44 -0.01108 -0.01061 53 11 1 5 0 948.910 26.62 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