File name: Pandora31s1_CharlesCityVA_20250622_L2Fit_fout2c7d20240321p1-8.txt File generation date: 20250623T052622.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 31 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora31_OF_v2d20240301.txt Instrument calibration file used: Pandora31s1_CF_v7d20240321.txt Level 1 file used: Pandora31s1_CharlesCityVA_20250622_L1_smca1c7d20240321p1-8.txt Full location name: Richmond VCU Short location name: CharlesCityVA Country of location: USA Location latitude [deg]: 37.3260 Location longitude [deg]: -77.2057 Location altitude [m]: 6 Local noon date: 20250622 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: 253 395 Nominal wavelengths inside fitting window [nm]: 305.0651 305.2060 305.3469 305.4877 305.6285 305.7694 305.9101 306.0509 306.1917 306.3324 306.4731 306.6138 306.7545 306.8952 307.0358 307.1765 307.3171 307.4577 307.5983 307.7388 307.8794 308.0199 308.1604 308.3009 308.4414 308.5819 308.7223 308.8628 309.0032 309.1436 309.2840 309.4243 309.5647 309.7050 309.8454 309.9857 310.1260 310.2662 310.4065 310.5467 310.6870 310.8272 310.9674 311.1076 311.2477 311.3879 311.5280 311.6682 311.8083 311.9484 312.0884 312.2285 312.3686 312.5086 312.6486 312.7886 312.9286 313.0686 313.2086 313.3485 313.4885 313.6284 313.7683 313.9082 314.0481 314.1879 314.3278 314.4676 314.6075 314.7473 314.8871 315.0269 315.1666 315.3064 315.4461 315.5859 315.7256 315.8653 316.0050 316.1447 316.2843 316.4240 316.5636 316.7032 316.8428 316.9824 317.1220 317.2616 317.4012 317.5407 317.6802 317.8198 317.9593 318.0988 318.2383 318.3777 318.5172 318.6566 318.7961 318.9355 319.0749 319.2143 319.3537 319.4930 319.6324 319.7717 319.9111 320.0504 320.1897 320.3290 320.4683 320.6075 320.7468 320.8860 321.0253 321.1645 321.3037 321.4429 321.5821 321.7212 321.8604 321.9996 322.1387 322.2778 322.4169 322.5560 322.6951 322.8342 322.9732 323.1123 323.2513 323.3904 323.5294 323.6684 323.8074 323.9463 324.0853 324.2243 324.3632 324.5021 324.6411 324.7800 324.9189 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Temperature at electronics board [°C], 999=no temperature signal Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Humidity in head sensor [%], -9=no humidity signal Column 98: Pressure in head sensor [hPa], -9=no pressure signal Columns 99-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-384: 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 20250622T103449.0Z 9304.440844 167 1 29.30 2 82.73 66.00 49.45 92.76 0.00 1 0.00 1 0 25 6.132e-01 3.228e-02 3.787e-01 1.435e-02 8.437701e-01 8.702911e-03 1.072798e-02 -6.000000e+00 3.749969e-01 232.78 -2.00 3.44 -2.00 322.01 0.00e+00 1.811477e-02 5.110234e-03 8.203568e-03 -6.000000e+00 1.981360e-02 289.38 -2.00 20.00 -2.00 321.47 0.00e+00 7.280 0.006 302.00 328.00 3 1.8949e+00 3.4875e-02 9.0434e-02 -6.0000e+00 9.4637e-01 1.0097e+00 4.7387e-02 5.3962e-02 -6.0000e+00 1.0356e+00 -1.2246e+00 4.1493e-02 3.1954e-02 -6.0000e+00 6.0657e-01 4.6902e-01 1.9141e-02 1.4086e-02 -6.0000e+00 2.5375e-01 2.0818e-05 -1.0063e-03 4.1309e-04 3.0820e-04 -6.0000e+00 1.8021e-02 2.1338e-02 12 8 8 10 0 0 37.31 23.90 1.07 0.02134 0.01378 19 19 1 5 0 1541.660 26.51 20.00 23.90 31.47 0.9 1010.11 900000 16352 9503 900000 900000 900000 58794 31919 -133415 12465 -106147 900000 900000 -69805 6770 195118 159542 900000 900000 -124166 900000 -64023 900000 900000 900000 25591 900000 -93262 -4236 900000 -39330 900000 108750 900000 900000 900000 900000 167187 99321 10008 24075 22872 9942 105357 900000 23644 231044 -18569 40360 20535 214382 70332 98987 69083 39910 306154 21042 19829 9104 88325 40601 67635 17775 41740 28096 26379 20147 2707 20518 -2571 51418 22 24797 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-6632 5281 -3103 4001 772 4524 736 3670 -1906 1833 555 -868 1287 675 3014 -403 1885 -2499 261 -440 580 -51 -3372 84 300 -1392 SS 20250622T104255.9Z 9304.446480 171 1 29.74 2 81.25 67.14 47.87 93.99 0.00 1 0.00 1 0 17 6.416e-01 1.281e-02 3.362e-01 6.029e-03 7.683283e-01 3.468545e-03 8.452088e-03 -6.000000e+00 3.784818e-01 232.78 -2.00 3.44 -2.00 321.65 0.00e+00 5.073983e-03 1.963570e-03 1.978096e-03 -6.000000e+00 1.894917e-02 289.38 -2.00 20.00 -2.00 321.07 0.00e+00 6.203 0.004 302.00 328.00 3 1.8863e+00 1.3348e-02 7.4551e-02 -6.0000e+00 9.5133e-01 1.3655e-01 2.0173e-02 4.2680e-02 -6.0000e+00 1.0298e+00 -2.0665e-01 2.0693e-02 2.4565e-02 -6.0000e+00 6.1191e-01 7.3275e-02 9.3571e-03 9.6684e-03 -6.0000e+00 2.6341e-01 7.9298e-05 -3.0420e-04 1.6984e-04 1.2072e-04 -6.0000e+00 1.8183e-02 2.1365e-02 12 9 8 11 8 0 89.63 23.90 0.53 0.02136 0.01908 43 43 1 5 0 691.460 26.51 20.00 23.90 31.84 0.9 1012.12 -103441 900000 900000 900000 -151485 900000 -256250 -181796 -306554 900000 37891 -177601 900000 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1289 1610 653 931 994 1155 930 1488 270 359 -492 2437 421 114 966 -1125 1615 132 -310 -777 685 -1153 162 -1931 727 595 -2851 -260 906 328 1082 1329 -392 -300 -1626 332 15 274 731 -1043 -1974 -537 -911 -1327 1359 -1370 -1220 -2220 1111 -394 -983 130 -977 1675 -197 878 1563 2150 -1555 382 -1300 344 620 763 -65 67 947 500 1952 -605 457 93 1288 -953 148 -99 -999 642 385 20 -1128 -451 290 -452 SS 20250622T105929.3Z 9304.457978 180 1 30.07 2 78.19 69.43 44.66 96.63 0.00 1 0.00 1 0 25 2.056e-01 4.326e-03 9.285e-02 1.807e-03 6.134732e-01 9.624864e-04 6.798131e-03 -6.000000e+00 1.196456e-01 232.78 -2.00 3.44 -2.00 320.66 0.00e+00 2.504619e-03 4.026241e-04 4.731267e-04 -6.000000e+00 5.329531e-03 289.38 -2.00 20.00 -2.00 319.95 0.00e+00 4.731 0.002 302.00 328.00 3 1.4135e+00 3.0914e-03 5.7248e-02 -6.0000e+00 3.0026e-01 -5.2345e-03 4.0529e-03 3.2380e-02 -6.0000e+00 3.2435e-01 -1.3689e-02 3.8297e-03 1.6599e-02 -6.0000e+00 1.9319e-01 -6.3433e-03 1.8886e-03 5.9972e-03 -6.0000e+00 8.1873e-02 6.0407e-04 -3.4437e-04 5.0075e-05 5.8928e-05 -6.0000e+00 5.5742e-03 2.0672e-02 10 0 0 10 0 0 72.20 23.90 0.30 0.02067 0.01808 141 141 1 5 0 213.230 26.51 20.00 23.90 32.88 0.8 1016.05 -19332 -102620 -63240 -38705 -38598 -66860 -37461 -95642 -92013 -72567 -27894 -61437 -39979 -24791 -16948 -15393 -13609 -11426 -30003 -16578 13201 -16190 -18251 -1819 -6651 -15536 1704 -23558 -6831 -11393 -4097 -3037 -3114 -4515 5950 -3088 9026 1433 -2093 2057 -1462 395 -1876 2380 -44 589 574 38 -1953 636 1950 -1161 383 -1855 738 2182 379 -321 338 1047 2154 1591 2830 2409 805 612 97 761 583 944 956 146 32 -94 -728 -296 -1155 -1031 93 -353 -342 -1084 -1164 -870 -720 -775 -124 382 712 725 229 506 440 463 231 381 463 369 -233 -128 -226 -544 -304 -41 -943 -1084 -758 -154 -180 20 330 -36 26 189 80 331 455 -133 209 -188 -13 19 -75 -101 235 341 571 598 -24 97 135 96 -216 -67 -162 -133 43 140 -160 -36 31 9 -130 -65 -922 -412 -191 -177 -412 -191 -1011 -1070 -755 -197 -704 -472 -323 -257 -274 -269 -246 -769 -396 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