File name: Pandora253s1_TucsonAZ_20240605_L2Fit_fout2c1d20230118p1-8.txt File generation date: 20240606T072939.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Manish Naja Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 253 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora253_OF_v2d20221208.txt Instrument calibration file used: Pandora253s1_CF_v1d20230118.txt Level 1 file used: Pandora253s1_TucsonAZ_20240605_L1_smca1c1d20230118p1-8.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: 20240605 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: Full lab calibration+OOB session, 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]: 305.0464 305.1873 305.3281 305.4689 305.6097 305.7505 305.8913 306.0321 306.1728 306.3136 306.4543 306.5950 306.7358 306.8765 307.0171 307.1578 307.2985 307.4391 307.5798 307.7204 307.8610 308.0016 308.1422 308.2828 308.4234 308.5639 308.7045 308.8450 308.9856 309.1261 309.2666 309.4071 309.5475 309.6880 309.8285 309.9689 310.1093 310.2498 310.3902 310.5306 310.6709 310.8113 310.9517 311.0920 311.2323 311.3727 311.5130 311.6533 311.7936 311.9339 312.0741 312.2144 312.3546 312.4948 312.6351 312.7753 312.9155 313.0556 313.1958 313.3360 313.4761 313.6162 313.7564 313.8965 314.0366 314.1767 314.3167 314.4568 314.5969 314.7369 314.8769 315.0169 315.1569 315.2969 315.4369 315.5769 315.7168 315.8568 315.9967 316.1366 316.2765 316.4164 316.5563 316.6962 316.8360 316.9759 317.1157 317.2556 317.3954 317.5352 317.6750 317.8147 317.9545 318.0942 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0722 319.2118 319.3515 319.4911 319.6307 319.7703 319.9099 320.0495 320.1891 320.3286 320.4682 320.6077 320.7472 320.8868 321.0263 321.1657 321.3052 321.4447 321.5841 321.7236 321.8630 322.0024 322.1418 322.2812 322.4206 322.5600 322.6993 322.8386 322.9780 323.1173 323.2566 323.3959 323.5352 323.6744 323.8137 323.9529 324.0922 324.2314 324.3706 324.5098 324.6490 324.7882 324.9273 --------------------------------------------------------------------------------------- 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 20240605T124905.2Z 8922.534088 69 1 54.52 2 84.73 66.51 73.33 71.83 0.00 1 0.00 1 0 33 5.478e-01 3.524e-02 5.376e-01 3.499e-02 1.026725e+00 2.198199e-02 1.080639e-02 -6.000000e+00 3.315192e-01 231.05 -2.00 3.29 -2.00 322.50 0.00e+00 -5.189983e-03 1.260428e-02 7.639327e-03 -6.000000e+00 1.615074e-02 286.63 -2.00 20.00 -2.00 322.07 0.00e+00 9.442 0.011 302.00 328.00 3 5.7105e-01 9.0380e-02 1.0943e-01 -6.0000e+00 8.2950e-01 1.7514e+00 1.0996e-01 7.3412e-02 -6.0000e+00 8.9834e-01 -2.0634e+00 7.2128e-02 2.9613e-02 -6.0000e+00 5.3164e-01 7.6145e-01 3.7165e-02 8.0102e-03 -6.0000e+00 2.2832e-01 1.6812e-05 -6.7358e-04 9.7804e-04 1.5557e-04 -6.0000e+00 1.6041e-02 -3.2517e-02 0.0000e+00 12 8 8 10 0 0 -22.86 25.66 1.29 -0.03252 -0.03758 32 3 1 5 0 1703.570 33.00 19.99 25.66 29.22 4.2 999.07 900000 -47792 147764 -26514 222522 11176 900000 -89678 900000 -61243 900000 -9692 -24591 -36119 900000 -8123 -13519 900000 -11069 94510 900000 -69014 900000 -38157 4377 4613 48259 900000 2877 -72626 -3633 41943 -66132 39521 -10889 83427 900000 16337 40674 -24404 11290 900000 20166 52249 61719 126476 164653 900000 900000 203548 831 172504 78148 5995 106711 69538 129952 93885 142586 101897 32400 92001 57186 55729 30464 35030 25385 -13852 21997 112530 11147 28984 40442 13153 -4657 -12759 12706 -4168 -9610 35947 21940 20949 2631 -6830 719 11100 -6370 -695 5029 33923 18742 3654 -9443 6886 -20423 6262 -6671 -56 -6270 899 -5600 -935 -3954 -4200 -1804 -6291 -5187 3288 3867 -8570 -567 5264 49 2073 -565 208 1875 51 -3762 -1488 -1399 -30 4912 -1294 1773 426 2404 3146 -1440 146 1933 3068 2367 -2092 -32 -1166 399 914 271 -773 272 488 -2631 900000 -2982 5029 -1128 7573 380 900000 -4832 900000 -2605 900000 -330 -837 -1639 900000 -369 -690 900000 -565 3216 900000 -5551 900000 -2243 176 186 1642 900000 98 -4718 -135 1427 -6138 1345 -573 2839 900000 657 1510 -2038 733 900000 1248 2263 2291 4304 5603 900000 900000 6927 64 5870 3385 575 3962 3872 4422 4066 4852 3468 2105 3415 3361 3793 2922 3251 2592 -2186 2654 6266 1897 4304 5255 2075 -778 -2013 1415 -554 -1516 4337 3665 4148 708 -2176 225 3626 -2580 -272 1848 9004 5421 1156 -3342 2179 -9730 2728 -3950 -37 -4951 692 -4421 -636 -2449 -2458 -1074 -4175 -3601 2272 2974 -8691 -619 6109 63 2681 -737 262 2322 67 -5415 -2172 -2014 -40 5968 -1621 2094 497 2691 3629 -2004 237 3565 6244 5277 -5282 -87 -3369 1170 2696 802 -2227 719 1181 -6151 SS 20240605T130114.3Z 8922.542526 72 1 54.95 2 82.36 68.02 70.94 73.11 0.00 1 0.00 1 0 17 6.169e-01 7.199e-03 3.539e-01 4.288e-03 8.610079e-01 2.533625e-03 8.918604e-03 -6.000000e+00 3.677595e-01 231.05 -2.00 3.29 -2.00 321.97 0.00e+00 6.283572e-03 1.558762e-03 2.678284e-03 -6.000000e+00 1.881187e-02 286.63 -2.00 20.00 -2.00 321.50 0.00e+00 6.989 0.005 302.00 328.00 3 5.7434e-01 1.0443e-02 8.1622e-02 -6.0000e+00 9.2480e-01 2.7737e-01 1.7046e-02 5.9172e-02 -6.0000e+00 1.0014e+00 -3.0170e-01 1.8747e-02 2.6536e-02 -6.0000e+00 5.9023e-01 1.0472e-01 8.2901e-03 1.3892e-02 -6.0000e+00 2.5143e-01 2.0963e-04 -1.2781e-03 1.1999e-04 1.3777e-04 -6.0000e+00 1.7598e-02 -3.2984e-02 0.0000e+00 11 8 0 10 0 0 46.44 25.66 0.52 -0.03298 -0.04259 151 14 1 5 0 363.860 33.00 20.00 25.66 29.56 4.2 1002.22 -315990 -169529 -272278 900000 -158756 -348871 900000 -125441 900000 -125387 900000 900000 900000 -104297 35882 -150615 900000 -43951 -3486 -102095 -71602 -28124 36430 19607 138095 -59112 -105297 -5409 28357 -84955 -60578 -38754 -34809 -63773 -10050 -23485 4838 -7034 -17042 -1823 -4565 -3797 -7535 9358 18582 14023 1030 12276 582 5226 8157 7815 11064 3304 11684 13468 10 3204 -1918 2299 4829 4545 4016 3695 89 -1139 5945 4820 -672 3785 3983 5124 2686 578 -2375 1566 -2410 -6345 -852 -1952 -1127 -1970 576 -93 1665 229 525 139 -38 597 568 1045 -947 -1560 613 -1164 348 44 -276 128 137 -472 -680 -378 -1160 -1188 -650 -331 -199 -401 -185 -481 -291 188 451 -10 303 -48 235 -76 -280 576 316 348 110 -46 -64 896 313 164 258 435 41 -178 -148 -535 100 466 -89 -131 -284 -81 64 -2039 -708 -1654 900000 -663 -4238 900000 -524 900000 -524 900000 900000 900000 -436 150 -1430 900000 -200 -15 -1008 -544 -139 152 82 577 -516 -1519 -29 118 -1097 -759 -500 -529 -1477 -137 -392 65 -123 -406 -46 -137 -125 -277 305 567 463 40 456 26 247 422 467 721 258 912 1091 1 302 -186 207 430 440 451 486 14 -181 886 759 -123 763 908 1233 666 139 -539 305 -451 -1243 -176 -493 -341 -707 228 -40 751 112 270 74 -21 313 281 483 -431 -735 317 -722 252 37 -267 130 133 -419 -539 -283 -914 -999 -573 -313 -207 -478 -251 -725 -456 293 678 -15 435 -72 369 -125 -460 898 470 500 153 -62 -83 1183 467 285 509 855 86 -403 -361 -1395 268 1260 -242 -348 -705 -186 140 SS 20240605T131911.7Z 8922.554997 77 1 54.80 2 78.81 70.18 67.39 74.96 0.00 1 0.00 1 0 25 2.794e-01 4.750e-03 5.216e-02 9.593e-04 6.492839e-01 5.213655e-04 6.962955e-03 -6.000000e+00 1.638371e-01 231.05 -2.00 3.29 -2.00 320.87 0.00e+00 3.430439e-03 2.331784e-04 3.923050e-04 -6.000000e+00 7.222772e-03 286.63 -2.00 20.00 -2.00 320.25 0.00e+00 4.974 0.002 302.00 328.00 3 3.5119e-01 1.7166e-03 5.6128e-02 -6.0000e+00 4.0974e-01 9.0740e-02 2.3070e-03 3.3498e-02 -6.0000e+00 4.4226e-01 -7.7999e-02 2.2868e-03 1.7679e-02 -6.0000e+00 2.6344e-01 1.8080e-02 1.1109e-03 7.6418e-03 -6.0000e+00 1.1220e-01 1.8856e-03 -5.5378e-04 2.6896e-05 7.7443e-05 -6.0000e+00 7.7041e-03 -3.3776e-02 0.0000e+00 10 0 0 10 0 0 43.61 25.63 0.41 -0.03378 -0.03794 506 48 1 5 0 108.280 33.00 20.00 25.63 30.45 4.2 1007.98 -116210 -88798 -108305 -83548 -83912 -109584 -55862 -106143 -71558 -61248 -84311 -79198 -56822 -29490 -34880 -31888 -21389 -21890 -21170 -16819 -9240 -10782 -10836 -12945 -12319 -18563 -18225 -17080 -11197 -9783 -14453 -5868 -3781 -4023 -8152 -3179 -7767 -4380 -2516 -3126 -1651 -1011 -1634 527 -1589 640 408 -1180 520 175 140 1082 1368 1932 2201 1344 447 527 -90 756 877 938 1915 2026 1835 1978 1218 921 1357 1390 535 753 375 100 -82 -444 -974 -1756 -1060 -780 -1214 -704 -1477 -1526 -910 -753 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