File name: Pandora206s1_BuffaloNY_20230111_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T045816.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230111_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230111 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: 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: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20230111T143631.6Z 8411.608699 270 1 45.16 2 75.25 140.37 80.70 275.82 0.00 1 0.00 1 0 25 1.379e-01 4.906e-03 4.060e-02 1.807e-03 5.240171e-01 9.053676e-04 6.042151e-03 -6.000000e+00 7.567430e-02 223.33 -2.00 3.55 -2.00 320.23 0.00e+00 1.980859e-03 3.027721e-04 3.353689e-04 -6.000000e+00 3.268732e-03 272.68 -2.00 20.00 -2.00 319.73 0.00e+00 3.851 0.001 302.00 328.00 3 2.7224e+00 2.6107e-03 4.6077e-02 -6.0000e+00 1.8684e-01 5.9110e-02 3.2030e-03 2.7243e-02 -6.0000e+00 2.0437e-01 -4.1868e-02 3.0285e-03 1.4010e-02 -6.0000e+00 1.2143e-01 5.8803e-03 1.5718e-03 4.9287e-03 -6.0000e+00 5.1537e-02 4.4698e-04 -1.9051e-04 4.9650e-05 4.8458e-05 -6.0000e+00 3.5145e-03 4.4112e-03 1.0854e-05 10 0 0 10 0 0 75.58 17.63 0.31 0.00441 0.00298 120 40 4 8 0 376.310 15.00 17.63 4.43 21.17 20.96 13.7 923.49 -50136 -60464 -39837 -25447 -52438 -58866 -48405 -52982 -20399 -46831 -37335 -18766 -21830 -14580 -13809 -14730 -6521 -2454 -9622 -8137 -5431 -3529 -8283 -1599 -2140 -1389 -2278 -4863 -10955 -35 254 -6433 -507 2121 -2942 -5292 -3042 -1088 1512 -370 -686 -436 170 -219 1266 630 -406 -1366 377 235 894 1229 2135 2181 1342 1707 1391 448 297 -174 800 977 2134 2325 811 242 -364 -188 981 623 729 641 724 196 167 -383 -1072 -1048 -1265 -954 -1014 -793 -1955 -1224 -922 -487 52 484 748 846 512 25 -158 -180 -19 257 544 761 237 -114 -169 -670 -876 -172 -822 -781 -770 -388 -298 167 200 294 40 72 -135 81 159 105 72 -57 -161 159 244 105 439 139 542 712 313 285 154 96 -339 -213 -192 -210 84 198 -62 17 19 -239 -265 -627 -959 -548 -287 -693 -830 -674 -878 -277 -891 -658 -308 -462 -357 -414 -522 -233 -92 -415 -364 -241 -152 -397 -78 -112 -77 -128 -267 -618 -2 16 -504 -43 184 -249 -461 -292 -121 202 -60 -112 -76 31 -40 255 130 -86 -296 82 54 208 313 583 645 419 548 460 148 95 -56 264 355 864 1043 375 106 -158 -83 473 349 444 404 448 115 89 -183 -482 -474 -643 -569 -696 -614 -1647 -985 -797 -447 50 471 723 777 434 22 -130 -152 -16 254 613 972 299 -151 -209 -749 -907 -185 -966 -958 -997 -534 -410 253 330 500 66 113 -199 113 227 157 115 -95 -266 252 375 154 617 203 761 1053 481 483 281 183 -629 -416 -402 -459 186 447 -139 36 38 -462 -502 SS 20230111T144249.1Z 8411.613068 272 1 45.91 2 74.53 141.68 81.83 276.82 0.00 1 0.00 1 0 17 1.003e-01 4.828e-03 3.580e-02 1.591e-03 5.035824e-01 7.889388e-04 5.803686e-03 -6.000000e+00 5.502975e-02 223.33 -2.00 3.55 -2.00 320.20 0.00e+00 1.454084e-03 2.631483e-04 2.965934e-04 -6.000000e+00 2.377006e-03 272.68 -2.00 20.00 -2.00 319.69 0.00e+00 3.682 0.001 302.00 328.00 3 2.5457e+00 2.2823e-03 4.4076e-02 -6.0000e+00 1.3587e-01 3.9587e-02 2.8004e-03 2.5996e-02 -6.0000e+00 1.4862e-01 -2.1908e-02 2.6181e-03 1.3342e-02 -6.0000e+00 8.8306e-02 -1.8583e-03 1.3557e-03 4.4225e-03 -6.0000e+00 3.7477e-02 6.4251e-04 -1.4537e-04 4.4087e-05 4.2905e-05 -6.0000e+00 2.5558e-03 4.5275e-03 8.7370e-06 10 0 0 10 0 0 99.51 17.63 0.31 0.00453 0.00344 220 68 4 8 0 208.660 15.02 17.63 4.76 21.27 21.06 13.7 926.82 -38981 -15537 -34756 -37052 -27508 -46917 -21860 -30806 -38596 -33668 -28689 -17912 -11310 -19782 -8844 -9976 -8896 -1870 -7810 -2723 631 -3558 -3876 -2412 -4207 -4192 -4203 -3929 -6821 -5432 -993 -1824 -1572 -2703 -3611 -5765 -5247 -2106 46 -1028 -398 -467 -59 -112 425 267 49 -179 1056 1612 568 1117 1377 1961 1045 1343 1329 817 12 310 746 1245 2459 2265 985 176 -875 -357 1190 451 932 524 751 650 -56 -285 -1192 -710 -917 -1020 -952 -961 -1954 -1570 -1057 -426 -316 464 890 842 840 239 22 -245 298 -32 527 631 284 -85 -255 -886 -797 -143 -728 -885 -785 -377 -249 287 389 276 94 10 -206 167 72 249 -58 55 -113 137 372 -92 257 68 392 615 294 324 34 -139 -390 -28 2 -240 113 217 21 19 -7 -174 -338 -490 -176 -507 -523 -316 -655 -261 -459 -707 -632 -521 -325 -239 -562 -276 -367 -353 -75 -357 -125 28 -166 -192 -129 -245 -258 -262 -232 -398 -335 -68 -145 -142 -260 -324 -531 -542 -250 7 -161 -69 -85 -11 -22 82 53 10 -36 217 346 137 294 390 598 336 445 453 276 4 101 253 463 1017 1039 463 79 -386 -159 578 255 572 334 469 383 -30 -138 -542 -322 -466 -610 -652 -744 -1640 -1378 -911 -389 -301 450 857 771 773 205 18 -205 277 -32 583 791 379 -110 -309 -974 -810 -151 -840 -1070 -1000 -511 -364 425 623 456 152 15 -317 245 108 390 -89 88 -181 229 601 -142 381 96 535 880 473 528 59 -256 -745 -57 5 -502 240 471 44 41 -14 -348 -664 SS 20230111T144857.7Z 8411.617335 275 1 30.86 2 73.84 142.98 82.93 277.80 0.00 1 0.00 1 0 25 1.125e-01 7.861e-03 1.019e-01 4.400e-03 4.859928e-01 2.175125e-03 5.673695e-03 -6.000000e+00 6.175220e-02 223.33 -2.00 3.55 -2.00 319.78 0.00e+00 1.372902e-03 6.383366e-04 2.701069e-04 -6.000000e+00 2.667356e-03 272.68 -2.00 20.00 -2.00 319.27 0.00e+00 3.535 0.001 302.00 328.00 3 4.5137e+00 6.1260e-03 4.2387e-02 -6.0000e+00 1.5246e-01 7.6213e-02 7.3255e-03 2.5070e-02 -6.0000e+00 1.6677e-01 -2.9245e-02 6.4865e-03 1.2728e-02 -6.0000e+00 9.9093e-02 2.4309e-03 3.4265e-03 4.1377e-03 -6.0000e+00 4.2056e-02 1.0255e-04 -2.5220e-04 1.2068e-04 4.0763e-05 -6.0000e+00 2.8680e-03 4.2306e-03 -2.4904e-06 11 8 0 10 0 0 97.02 17.64 0.37 0.00423 0.00234 14 14 2 8 0 2204.000 14.98 17.64 5.13 21.27 21.06 13.8 929.34 -45263 11327 -14112 8807 29582 -56059 43352 -24903 -4634 -25876 72141 -19432 7372 -9342 -2257 -11662 -9594 -101 -3490 1614 -1233 2414 822 7630 -3591 7862 -29650 7452 -6724 9425 189 -6089 222 -1019 979 -6327 20 -4543 5779 -2434 4065 -3919 3596 -2897 2913 -665 -3260 -3901 -4539 2277 -2175 3473 32 3077 609 2564 907 1550 -1331 -2081 822 695 3195 2798 1196 -544 -767 -1382 2151 -402 2157 547 2214 402 1448 -390 -843 -379 -2312 190 -522 31 -3539 -1340 -1543 -60 -46 415 190 685 216 98 46 -505 -60 104 1098 557 832 -736 355 -747 -816 -399 -839 -790 -1002 -199 -156 393 227 615 -485 319 -218 -325 -350 364 -251 -161 -41 76 424 -172 739 590 870 615 747 -165 294 -575 -330 147 62 -354 206 251 277 336 -426 -249 -712 -827 138 -234 110 267 -1148 385 -481 -83 -614 672 -484 173 -308 -84 -555 -486 -5 -192 89 -71 133 48 458 -257 530 -2938 498 -495 628 16 -604 24 -115 100 -695 2 -652 919 -500 863 -922 820 -714 703 -169 -852 -1039 -1204 610 -652 1079 11 1116 236 1005 371 622 -533 -831 332 309 1508 1463 642 -279 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