File name: Pandora253s1_TucsonAZ_20240508_L2Fit_fout2c3d20231207p1-8.txt File generation date: 20241219T054042.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Manish Naja Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 253 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora253_OF_v2d20221208.txt Instrument calibration file used: Pandora253s1_CF_v3d20231207.txt Level 1 file used: Pandora253s1_TucsonAZ_20240508_L1_smca1c3d20231207p1-8.txt Full location name: University of Arizona Department of Chemical and Environmental Engineering Short location name: TucsonAZ Country of location: United States Location latitude [deg]: 32.2330 Location longitude [deg]: -110.9530 Location altitude [m]: 779 Local noon date: 20240508 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Modification of session 2 "Clearance session based on OOB session1, absolute calibration done with an uncalibrated lamp, certificate of FEL1441 (GSFC) used"" First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0168 305.1576 305.2984 305.4391 305.5798 305.7205 305.8612 306.0019 306.1426 306.2833 306.4240 306.5646 306.7052 306.8459 306.9865 307.1271 307.2677 307.4083 307.5488 307.6894 307.8299 307.9705 308.1110 308.2515 308.3920 308.5325 308.6729 308.8134 308.9539 309.0943 309.2347 309.3751 309.5156 309.6559 309.7963 309.9367 310.0771 310.2174 310.3577 310.4981 310.6384 310.7787 310.9190 311.0593 311.1995 311.3398 311.4800 311.6203 311.7605 311.9007 312.0409 312.1811 312.3212 312.4614 312.6016 312.7417 312.8818 313.0219 313.1620 313.3021 313.4422 313.5823 313.7223 313.8624 314.0024 314.1424 314.2825 314.4225 314.5624 314.7024 314.8424 314.9823 315.1223 315.2622 315.4021 315.5420 315.6819 315.8218 315.9617 316.1016 316.2414 316.3812 316.5211 316.6609 316.8007 316.9405 317.0802 317.2200 317.3598 317.4995 317.6392 317.7790 317.9187 318.0584 318.1981 318.3377 318.4774 318.6170 318.7567 318.8963 319.0359 319.1755 319.3151 319.4547 319.5943 319.7338 319.8734 320.0129 320.1524 320.2919 320.4314 320.5709 320.7104 320.8498 320.9893 321.1287 321.2681 321.4076 321.5470 321.6864 321.8257 321.9651 322.1045 322.2438 322.3831 322.5225 322.6618 322.8011 322.9404 323.0796 323.2189 323.3581 323.4974 323.6366 323.7758 323.9150 324.0542 324.1934 324.3326 324.4717 324.6109 324.7500 324.8891 --------------------------------------------------------------------------------------- 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 20240508T130148.9Z 8894.542927 49 1 54.78 2 84.63 72.90 86.86 66.65 0.00 1 0.00 1 0 25 5.594e-01 2.734e-02 5.295e-01 2.796e-02 1.182524e+00 1.817532e-02 1.218951e-02 -6.000000e+00 3.395161e-01 230.25 -2.00 3.29 -2.00 322.69 0.00e+00 -2.243695e-02 1.084355e-02 2.130838e-03 -6.000000e+00 1.619746e-02 284.12 -2.00 20.00 -2.00 322.30 0.00e+00 9.323 0.011 302.00 328.00 3 4.9706e-01 7.8053e-02 1.0846e-01 -6.0000e+00 8.4810e-01 1.8378e+00 1.0495e-01 7.6164e-02 -6.0000e+00 9.2150e-01 -2.2900e+00 8.1961e-02 3.6002e-02 -6.0000e+00 5.3995e-01 8.7885e-01 3.8705e-02 1.6980e-02 -6.0000e+00 2.3268e-01 1.7925e-05 -6.8784e-04 7.6045e-04 2.5187e-04 -6.0000e+00 1.6718e-02 3.9106e-03 0.0000e+00 12 8 8 10 0 0 36.45 25.36 1.19 0.00391 -0.00126 41 4 1 5 0 1335.860 32.75 20.00 25.36 23.64 4.4 962.50 900000 900000 676 -49655 900000 900000 900000 -2230 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900000 900000 -219 1043 900000 3445 562 1795 1602 -2672 900000 4112 -4148 771 2851 2578 1026 -189 1881 2269 3387 4167 724 3980 2445 1701 -1800 2900 2564 3228 1638 -2675 4122 3652 5241 3134 737 1794 3195 1446 3331 978 -1611 -753 1267 4388 -1603 3430 2657 4114 3761 599 4697 -2008 2892 708 167 187 1657 -2582 -3997 -2235 -2847 -2985 1455 -5057 -4026 -1239 -1539 460 1209 -1831 -2402 -258 -2745 -451 -593 2899 -1834 634 -3504 153 -312 2952 2138 808 3963 1649 294 2820 -1769 1545 -426 2172 -1369 -352 -2326 2685 -2448 2856 2304 5020 -4455 -1769 995 -3800 -462 SS 20240508T131351.1Z 8894.551286 52 1 54.96 2 82.19 74.42 84.58 68.08 0.00 1 0.00 1 0 25 8.732e-01 9.304e-03 2.989e-01 3.604e-03 9.460037e-01 2.097694e-03 9.771070e-03 -6.000000e+00 5.112606e-01 230.25 -2.00 3.29 -2.00 322.07 0.00e+00 6.454461e-03 1.299925e-03 1.371447e-03 -6.000000e+00 2.246260e-02 284.12 -2.00 20.00 -2.00 321.64 0.00e+00 6.862 0.004 302.00 328.00 3 4.5951e-01 8.6849e-03 8.0553e-02 -6.0000e+00 1.2786e+00 4.0985e-01 1.4554e-02 5.4649e-02 -6.0000e+00 1.3831e+00 -4.5034e-01 1.6240e-02 3.0737e-02 -6.0000e+00 8.2218e-01 1.6268e-01 7.1297e-03 1.3439e-02 -6.0000e+00 3.4921e-01 2.3006e-04 -8.0251e-04 9.6161e-05 1.7961e-04 -6.0000e+00 2.4078e-02 3.3969e-03 0.0000e+00 11 8 0 10 0 0 25.37 25.37 0.49 0.00340 -0.00263 186 18 1 5 0 295.440 32.75 20.00 25.37 24.16 4.4 967.21 -26094 -324636 -303626 -182560 -304423 -194449 -299737 -302799 -213369 -268633 -239993 -263750 -226221 -204759 -165669 -111022 -42806 -110313 -150819 900000 -96832 -126102 -78681 -86334 21259 -51667 -102963 -65466 -16461 -46162 -57271 -519 -47230 -18953 -23398 -9131 -38979 15078 -12123 -25445 -16281 1979 -908 -12451 -9271 7718 8984 17730 -1069 -5261 4123 807 12929 14324 11860 11077 8145 2729 12509 -6892 -5306 4808 14182 13462 5986 5891 6222 1237 5499 3703 9224 8073 4234 3409 4970 -1689 -2888 316 -18 -892 -1313 1342 1228 -1265 -1436 342 610 984 1820 2418 -1224 -1195 -677 -1058 -1056 -325 -1231 644 -39 -676 -480 -1050 -89 -642 -1187 -2558 -2446 -2146 -509 -274 283 -262 56 468 -201 214 -90 836 609 -186 -398 238 726 860 544 339 54 1534 435 94 -78 190 -73 34 -153 -314 -171 277 -5 18 -212 -207 -48 -92 -2592 -2231 -641 -2139 -683 -2011 -2321 -750 -1802 -1303 -2106 -1662 -1700 -1270 -638 -150 -881 -2023 900000 -835 -1450 -578 -745 75 -363 -1250 -544 -84 -354 -622 -4 -739 -254 -329 -108 -660 173 -225 -658 -447 50 -28 -446 -329 239 287 554 -44 -250 203 47 759 921 850 845 664 236 949 -613 -468 417 1301 1462 787 803 859 190 893 709 1886 1773 965 739 960 -310 -497 54 -4 -212 -381 448 466 -532 -643 160 299 496 913 1173 -580 -533 -293 -478 -542 -197 -900 546 -38 -688 -469 -932 -69 -472 -912 -2120 -2137 -2015 -522 -323 382 -396 88 741 -312 318 -133 1273 978 -312 -662 374 1073 1225 750 455 71 2026 661 168 -146 390 -162 80 -393 -858 -479 782 -13 48 -543 -488 -107 SS 20240508T133030.8Z 8894.562857 57 1 54.85 2 78.77 76.49 81.38 70.00 0.00 1 0.00 1 0 25 4.332e-01 5.347e-03 5.450e-02 9.178e-04 7.231449e-01 5.025658e-04 7.617456e-03 -6.000000e+00 2.532718e-01 230.25 -2.00 3.29 -2.00 321.08 0.00e+00 3.109099e-03 2.373020e-04 5.642016e-04 -6.000000e+00 1.108134e-02 284.12 -2.00 20.00 -2.00 320.53 0.00e+00 4.962 0.002 302.00 328.00 3 3.0918e-01 1.6749e-03 5.8419e-02 -6.0000e+00 6.3274e-01 1.2471e-01 2.3598e-03 3.7649e-02 -6.0000e+00 6.8364e-01 -1.1103e-01 2.4786e-03 2.0029e-02 -6.0000e+00 4.0684e-01 3.2822e-02 1.1836e-03 8.3081e-03 -6.0000e+00 1.7325e-01 1.7963e-03 -4.8129e-04 2.4966e-05 8.3386e-05 -6.0000e+00 1.1944e-02 2.9973e-03 0.0000e+00 11 1 0 11 8 0 -2.18 25.33 0.39 0.00300 -0.00062 577 54 1 5 0 95.050 32.75 20.00 25.33 25.60 4.4 977.70 -184100 -174137 -135623 -118733 -149254 -152709 -109263 -141639 -115412 -113176 -126881 -80202 -96116 -62737 -63510 -56302 -41092 -32335 -24025 -27450 -24305 -30975 -20983 -30635 -24789 -32973 -19473 -20802 -31876 -16864 -13957 -16639 -3352 -7209 -10602 -7680 -10196 -10594 -3853 -2891 -4141 -1980 1475 1007 888 1681 1459 996 1830 1532 827 1341 2160 2462 1629 1724 1180 978 -22 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