File name: Pandora88s1_SanAntonioTX_20250304_L2Fit_fout2c2d20240901p1-8.txt File generation date: 20250504T101648.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 88 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora88_OF_v2d20240227.txt Instrument calibration file used: Pandora88s1_CF_v2d20240901.txt Level 1 file used: Pandora88s1_SanAntonioTX_20250304_L1_smca1c2d20240901p1-8.txt Full location name: University of Texas San Antonio Downtown Campus Short location name: SanAntonioTX Country of location: USA Location latitude [deg]: 29.4229 Location longitude [deg]: -98.5025 Location altitude [m]: 230 Local noon date: 20250304 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 clearance session 1 First and last pixel inside fitting window: 198 340 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1841 305.3247 305.4653 305.6059 305.7464 305.8870 306.0275 306.1680 306.3086 306.4491 306.5895 306.7300 306.8705 307.0110 307.1514 307.2918 307.4323 307.5727 307.7131 307.8535 307.9939 308.1342 308.2746 308.4150 308.5553 308.6956 308.8359 308.9762 309.1165 309.2568 309.3971 309.5373 309.6776 309.8178 309.9581 310.0983 310.2385 310.3787 310.5189 310.6590 310.7992 310.9393 311.0795 311.2196 311.3597 311.4998 311.6399 311.7800 311.9201 312.0601 312.2002 312.3402 312.4803 312.6203 312.7603 312.9003 313.0403 313.1802 313.3202 313.4601 313.6001 313.7400 313.8799 314.0198 314.1597 314.2996 314.4395 314.5793 314.7192 314.8590 314.9988 315.1386 315.2785 315.4182 315.5580 315.6978 315.8376 315.9773 316.1170 316.2568 316.3965 316.5362 316.6759 316.8155 316.9552 317.0949 317.2345 317.3741 317.5138 317.6534 317.7930 317.9326 318.0721 318.2117 318.3513 318.4908 318.6303 318.7699 318.9094 319.0489 319.1884 319.3278 319.4673 319.6067 319.7462 319.8856 320.0250 320.1644 320.3038 320.4432 320.5826 320.7220 320.8613 321.0006 321.1400 321.2793 321.4186 321.5579 321.6972 321.8364 321.9757 322.1149 322.2542 322.3934 322.5326 322.6718 322.8110 322.9502 323.0893 323.2285 323.3676 323.5068 323.6459 323.7850 323.9241 324.0632 324.2023 324.3413 324.4804 324.6194 324.7585 324.8975 --------------------------------------------------------------------------------------- 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 20250304T142834.6Z 9194.603178 75 1 19.70 2 71.16 108.86 105.90 55.19 0.00 1 0.00 1 0 25 1.902e-02 5.971e-03 2.575e-03 6.526e-04 3.711027e-01 3.219193e-04 4.066297e-03 -6.000000e+00 1.056725e-02 226.24 -2.00 3.23 -2.00 317.59 0.00e+00 5.337133e-04 5.122730e-05 1.223927e-04 -6.000000e+00 4.712775e-04 284.53 -2.00 20.00 -2.00 316.84 0.00e+00 3.059 0.000 302.00 328.00 3 1.2248e+00 8.5226e-04 3.4409e-02 -6.0000e+00 2.6172e-02 2.4133e-03 9.6259e-04 1.7441e-02 -6.0000e+00 2.8420e-02 -2.6749e-03 5.9991e-04 8.5719e-03 -6.0000e+00 1.6958e-02 -4.3243e-04 3.0918e-04 2.4742e-03 -6.0000e+00 7.3498e-03 5.1159e-03 1.4329e-04 1.7033e-05 2.4174e-05 -6.0000e+00 4.7151e-04 1.0774e-02 0.0000e+00 12 1 1 12 1 1 77.30 24.17 0.32 0.01077 0.01185 173 54 1 5 0 113.180 33.00 20.00 24.17 21.88 0.0 965.49 -5981 -3675 -5108 -5269 -8252 -6252 -6642 -5011 -4524 -4723 -4971 -5608 -3712 -2821 560 128 170 1293 1563 1790 1859 690 1477 1189 317 6 851 -760 -1132 -340 462 706 1677 -27 -2854 -3454 -2209 -1194 -685 437 -362 -236 -125 -247 468 15 -25 -174 -296 -122 662 673 1043 1118 833 1096 777 609 255 158 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20250304T143339.2Z 9194.606703 78 1 53.94 2 70.11 109.61 105.02 55.93 0.00 1 0.00 1 0 25 1.800e-02 6.141e-03 9.708e-04 2.794e-04 3.552842e-01 1.379898e-04 3.907513e-03 -6.000000e+00 9.999293e-03 226.24 -2.00 3.23 -2.00 317.37 0.00e+00 5.542820e-04 2.052974e-05 1.246121e-04 -6.000000e+00 4.459730e-04 284.53 -2.00 20.00 -2.00 316.62 0.00e+00 2.908 0.000 302.00 328.00 3 7.0707e-01 3.6353e-04 3.2770e-02 -6.0000e+00 2.4766e-02 2.8734e-03 4.0960e-04 1.6682e-02 -6.0000e+00 2.6893e-02 -2.7754e-03 2.5061e-04 8.2041e-03 -6.0000e+00 1.6047e-02 2.1717e-05 1.2762e-04 2.3658e-03 -6.0000e+00 6.9544e-03 1.0093e-02 1.2716e-04 7.3098e-06 2.3595e-05 -6.0000e+00 4.4619e-04 1.1137e-02 0.0000e+00 10 0 0 10 0 0 85.10 24.18 0.29 0.01114 0.01209 969 109 1 5 0 55.660 33.00 20.00 24.18 22.15 0.0 967.13 -4743 -3862 -4287 -5912 -7860 -7325 -6567 -4617 -2877 -3432 -4592 -4465 -3274 -1909 50 425 346 1260 1600 1940 1505 897 1501 1255 604 549 311 -628 -1466 -243 790 656 1696 -253 -2737 -3436 -2486 -1437 -333 217 -298 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593 695 402 418 -209 -172 -418 -97 81 -236 369 438 -336 -270 -834 -962 SS 20250304T143851.2Z 9194.610314 81 1 53.94 2 69.05 110.39 104.10 56.68 0.00 1 0.00 1 0 25 1.493e-02 6.056e-03 7.543e-04 2.427e-04 3.402389e-01 1.202509e-04 3.756744e-03 -6.000000e+00 8.291183e-03 226.24 -2.00 3.23 -2.00 317.16 0.00e+00 5.069183e-04 1.696782e-05 1.132321e-04 -6.000000e+00 3.697833e-04 284.53 -2.00 20.00 -2.00 316.41 0.00e+00 2.769 0.000 302.00 328.00 3 5.8167e-01 3.1543e-04 3.1265e-02 -6.0000e+00 2.0535e-02 2.7671e-03 3.5506e-04 1.5986e-02 -6.0000e+00 2.2299e-02 -2.3706e-03 2.1406e-04 7.8638e-03 -6.0000e+00 1.3306e-02 -1.3886e-04 1.0756e-04 2.2613e-03 -6.0000e+00 5.7665e-03 1.3302e-02 1.1166e-04 6.3416e-06 2.3235e-05 -6.0000e+00 3.6996e-04 1.1019e-02 0.0000e+00 10 0 0 10 0 0 85.37 24.19 0.31 0.01102 0.01186 1205 135 1 5 0 44.760 32.75 20.00 24.19 22.48 0.0 968.74 -3923 -2351 -2703 -5223 -6860 -6400 -4125 -3149 -2004 -2657 -3863 -3707 -2511 -957 540 619 559 1192 1427 1662 1032 815 1326 911 443 587 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