File name: Pandora25s1_HoustonTX_20250318_L2Fit_fout2c9d20230101p1-8.txt File generation date: 20250319T063701.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Jimmy Flynn Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 25 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v9d20230101.txt Level 1 file used: Pandora25s1_HoustonTX_20250318_L1_smca1c9d20230101p1-8.txt Full location name: University Of Houston Short location name: HoustonTX Country of location: United States Location latitude [deg]: 29.7200 Location longitude [deg]: -95.3400 Location altitude [m]: 19 Local noon date: 20250318 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: Modification of session 8, but repeated E-MLE of HCHO. First and last pixel inside fitting window: 281 423 Nominal wavelengths inside fitting window [nm]: 305.0808 305.2213 305.3618 305.5022 305.6427 305.7831 305.9235 306.0640 306.2044 306.3447 306.4851 306.6255 306.7658 306.9062 307.0465 307.1868 307.3272 307.4675 307.6077 307.7480 307.8883 308.0285 308.1688 308.3090 308.4492 308.5894 308.7296 308.8698 309.0100 309.1501 309.2903 309.4304 309.5705 309.7106 309.8507 309.9908 310.1309 310.2710 310.4110 310.5511 310.6911 310.8311 310.9711 311.1111 311.2511 311.3911 311.5310 311.6710 311.8109 311.9508 312.0907 312.2306 312.3705 312.5104 312.6503 312.7901 312.9300 313.0698 313.2096 313.3494 313.4892 313.6290 313.7688 313.9085 314.0483 314.1880 314.3277 314.4675 314.6072 314.7468 314.8865 315.0262 315.1658 315.3055 315.4451 315.5847 315.7243 315.8639 316.0035 316.1431 316.2826 316.4222 316.5617 316.7013 316.8408 316.9803 317.1198 317.2592 317.3987 317.5382 317.6776 317.8170 317.9564 318.0958 318.2352 318.3746 318.5140 318.6534 318.7927 318.9320 319.0714 319.2107 319.3500 319.4893 319.6285 319.7678 319.9070 320.0463 320.1855 320.3247 320.4639 320.6031 320.7423 320.8815 321.0206 321.1598 321.2989 321.4380 321.5771 321.7162 321.8553 321.9944 322.1334 322.2725 322.4115 322.5506 322.6896 322.8286 322.9676 323.1065 323.2455 323.3845 323.5234 323.6623 323.8012 323.9402 324.0790 324.2179 324.3568 324.4957 324.6345 324.7733 324.9122 --------------------------------------------------------------------------------------- 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 20250318T132325.8Z 9208.557937 247 1 16.99 2 78.65 97.43 77.68 237.46 0.00 1 0.00 1 0 25 2.738e-01 6.168e-03 8.506e-02 2.366e-03 6.470242e-01 1.271371e-03 6.883512e-03 -6.000000e+00 1.608566e-01 227.30 -2.00 3.24 -2.00 320.49 0.00e+00 2.120180e-03 5.082881e-04 3.464503e-04 -6.000000e+00 7.196959e-03 286.13 -2.00 20.00 -2.00 319.85 0.00e+00 4.908 0.001 302.00 328.00 3 1.1933e+00 3.9266e-03 5.8040e-02 -6.0000e+00 3.9997e-01 5.9145e-02 5.1258e-03 3.1743e-02 -6.0000e+00 4.3414e-01 -3.9656e-02 4.9324e-03 1.6323e-02 -6.0000e+00 2.5721e-01 6.2909e-03 2.4553e-03 5.7232e-03 -6.0000e+00 1.0921e-01 5.9551e-04 -9.9129e-04 6.5425e-05 5.9907e-05 -6.0000e+00 7.7822e-03 -7.2483e-03 0.0000e+00 12 1 1 12 1 1 33.12 24.31 0.26 -0.00725 -0.01470 52 33 1 5 0 320.510 26.83 20.00 24.31 23.22 32.6 1100.00 -62756 -121418 -115338 -79450 -86256 -101257 900000 -140943 900000 -90105 -63426 -4681 -69838 -1587 -45381 900000 -21974 16272 -25026 23151 -10995 -6551 -14921 -11319 -16252 -14790 -2251 -18101 -8387 -23587 19993 -7079 7028 -7714 -1986 -880 2042 13038 699 -3068 -1789 23 -2486 3030 806 2492 -3429 1550 1632 2646 1308 2598 1508 1825 2031 -339 2320 -2232 332 -2743 2239 253 3076 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20250318T132836.8Z 9208.561538 250 1 49.50 2 77.53 98.10 78.61 238.21 0.00 1 0.00 1 0 25 1.551e-01 4.913e-03 2.967e-02 8.715e-04 5.985230e-01 4.589406e-04 6.380513e-03 -6.000000e+00 8.989457e-02 227.30 -2.00 3.24 -2.00 320.21 0.00e+00 1.473564e-03 1.676507e-04 4.113145e-04 -6.000000e+00 4.018878e-03 286.13 -2.00 20.00 -2.00 319.54 0.00e+00 4.501 0.001 302.00 328.00 3 7.5463e-01 1.3807e-03 5.3362e-02 -6.0000e+00 2.2277e-01 3.2897e-02 1.7345e-03 2.9327e-02 -6.0000e+00 2.4133e-01 -1.6157e-02 1.5884e-03 1.4627e-02 -6.0000e+00 1.4411e-01 -2.9443e-03 8.0716e-04 4.8852e-03 -6.0000e+00 6.1740e-02 1.4403e-03 -7.7917e-04 2.4368e-05 5.1798e-05 -6.0000e+00 4.3388e-03 -6.9341e-03 0.0000e+00 10 0 0 10 0 0 98.02 24.32 0.22 -0.00693 -0.01279 356 76 1 5 0 138.980 26.83 20.00 24.32 23.52 32.5 1100.00 -12875 -61227 -40302 -55669 -54371 -79179 -27836 -63318 -34316 -41235 -55679 -12961 -42106 -3169 -22804 21887 -12241 1401 -13350 -2812 -10559 -5352 -7936 -6526 -6966 -8399 -6125 -10159 -3666 -11928 4201 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302 896 936 320 -3 -483 -1029 -352 84 134 101 537 173 1621 850 213 -12 -183 -91 267 -121 -508 -621 314 -236 -521 110 -82 166 SS 20250318T133404.0Z 9208.565325 253 1 49.48 2 76.36 98.82 79.61 238.97 0.00 1 0.00 1 0 25 1.073e-01 4.681e-03 1.680e-02 7.785e-04 5.546198e-01 4.072212e-04 5.967181e-03 -6.000000e+00 6.219283e-02 227.30 -2.00 3.24 -2.00 319.81 0.00e+00 1.356100e-03 1.295881e-04 3.370149e-04 -6.000000e+00 2.795405e-03 286.13 -2.00 20.00 -2.00 319.10 0.00e+00 4.140 0.001 302.00 328.00 3 9.7658e-01 1.1823e-03 4.9159e-02 -6.0000e+00 1.5411e-01 3.1388e-02 1.4355e-03 2.6999e-02 -6.0000e+00 1.6700e-01 -1.7084e-02 1.2312e-03 1.3336e-02 -6.0000e+00 9.9715e-02 -1.1559e-03 6.3942e-04 4.3145e-03 -6.0000e+00 4.2996e-02 1.7016e-03 -7.0762e-04 2.2006e-05 4.5917e-05 -6.0000e+00 3.0189e-03 -7.4348e-03 0.0000e+00 10 0 0 10 0 0 62.93 24.33 0.30 -0.00743 -0.01275 324 69 1 5 0 152.680 26.83 19.99 24.33 23.97 32.5 1100.00 900000 -25499 -56948 -17826 -59652 -39379 -31014 -28747 -26349 -22358 -36667 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