File name: Pandora206s1_BuffaloNY_20220913_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T041527.4Z 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_20220913_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: 20220913 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 20220913T111929.4Z 8291.471868 200 1 28.01 2 85.95 88.72 58.79 252.64 0.00 1 0.00 1 0 55 8.728e-01 2.279e-01 5.653e-01 1.531e-01 1.026052e+00 9.810119e-02 1.613784e-02 -6.000000e+00 5.523635e-01 229.26 -2.00 3.55 -2.00 320.96 0.00e+00 1.935124e-03 2.768793e-02 2.668646e-02 -6.000000e+00 3.388068e-02 285.60 -2.00 20.00 -2.00 320.12 0.00e+00 11.343 0.028 302.00 328.00 3 -3.9991e-02 2.9286e-01 1.9154e-01 -6.0000e+00 1.3898e+00 3.0083e+00 3.4579e-01 2.0570e-01 -6.0000e+00 1.5427e+00 -2.0899e+00 2.0768e-01 7.9921e-02 -6.0000e+00 9.0693e-01 6.3983e-01 1.0587e-01 7.7112e-03 -6.0000e+00 3.7810e-01 1.0778e-06 -1.0971e-02 4.2302e-03 1.2950e-04 -6.0000e+00 2.8119e-02 8.3825e-04 1.0415e-04 12 8 8 10 0 0 98.92 18.38 4.82 0.00084 -0.08160 7 7 4 8 0 4000.000 14.99 18.38 20.76 21.79 21.79 12.4 942.62 30840 900000 900000 900000 76042 900000 900000 217728 -56074 900000 900000 61163 28542 900000 900000 900000 900000 900000 900000 49518 900000 900000 900000 -62982 10896 900000 900000 900000 900000 900000 180931 900000 -1405 900000 900000 -68611 900000 900000 900000 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12403 24994 900000 900000 1075 900000 -12832 -6526 900000 -18511 10550 10275 29476 9751 6356 46561 18850 35220 13306 16522 14840 900000 7057 900000 900000 1447 -1624 15246 34164 16495 -64829 18169 18293 15485 20597 11062 18978 10426 4976 2243 6719 19665 -7434 25248 13868 3957 7185 22307 19146 21541 19666 22385 6960 892 26716 10271 -21260 -16328 -7394 -51158 15716 -50325 42559 -3319 9448 -17239 52848 31356 -8534 4876 -13521 13862 -31197 25652 13998 30821 -14636 24126 -12858 27908 -17739 449 6949 6108 -6141 15373 2541 -4657 30943 -35045 SS 20220913T113634.0Z 8291.483727 203 1 14.97 2 82.83 91.64 61.68 256.00 0.00 1 0.00 1 0 17 6.972e-01 1.882e-02 4.587e-01 1.370e-02 8.773183e-01 7.764382e-03 9.587592e-03 -6.000000e+00 3.950907e-01 229.26 -2.00 3.55 -2.00 322.17 0.00e+00 3.670531e-03 4.905952e-03 1.357885e-03 -6.000000e+00 1.903572e-02 285.59 -2.00 20.00 -2.00 321.69 0.00e+00 7.372 0.008 302.00 328.00 3 1.1422e+00 3.2645e-02 8.7905e-02 -6.0000e+00 9.8556e-01 5.8919e-01 4.8052e-02 5.3825e-02 -6.0000e+00 1.0729e+00 -7.7523e-01 4.7221e-02 2.6396e-02 -6.0000e+00 6.3514e-01 3.0907e-01 2.1065e-02 9.8916e-03 -6.0000e+00 2.7087e-01 5.4147e-05 -8.9765e-04 3.6228e-04 1.1770e-04 -6.0000e+00 1.8227e-02 4.3582e-04 1.5632e-05 12 9 9 12 1 1 -6.55 18.37 0.56 0.00044 -0.00631 21 45 2 8 0 672.590 15.00 18.37 21.45 21.79 21.79 12.4 947.40 -267475 900000 -158698 -107073 -168132 900000 -240805 -87233 -203162 900000 -170356 -54063 -143633 -218152 -65047 -71914 -11393 -70289 213258 -47799 900000 -72096 900000 -101528 50230 -55731 38878 900000 -73704 -32201 -50708 -1015 -44455 195386 -7039 900000 -31102 321963 102690 77393 28358 83365 32658 22178 12076 16748 5701 -30794 54493 -2703 47484 19842 23324 37378 41819 21487 34124 1458 14354 -27903 4194 25285 9821 16444 7155 15533 2380 54325 9950 11992 8841 8813 9134 11334 8724 1198 22532 2280 5706 -123 4650 2186 -1752 -1188 1254 209 3501 1427 878 -1226 87 -2477 -3536 -2549 -3582 -763 -929 1065 -2994 -966 -1877 -1080 -2287 -2421 -1701 -5204 -606 -1017 -203 -868 345 -274 -243 -900 -575 717 -93 -709 -675 62 961 2593 32 1402 988 1786 518 1704 407 913 -43 524 657 -507 -223 36 354 36 278 52 -208 -502 -1786 -5235 900000 -2118 -1429 -2244 900000 -3902 -1164 -2711 900000 -2273 -721 -1917 -7486 -868 -960 -152 -1072 2846 -638 900000 -1168 900000 -2516 670 -956 519 900000 -1405 -496 -1197 -18 -1314 2607 -152 900000 -926 4296 1370 1351 902 1626 1106 842 508 688 269 -2213 1790 -172 2096 1304 1628 2494 2833 1853 2662 154 1267 -3638 409 2232 1180 2144 1087 2137 384 5521 1777 2275 1896 1949 1950 2350 1657 218 3169 417 1189 -31 1325 744 -683 -487 538 96 1625 691 425 -579 37 -1044 -1500 -1156 -1926 -476 -687 905 -2894 -905 -1651 -836 -1605 -1729 -1307 -4345 -515 -951 -212 -1059 474 -407 -367 -1340 -816 977 -131 -1060 -1069 100 1476 3708 46 1893 1294 2257 647 2297 655 1682 -84 1097 1465 -1228 -581 97 970 100 766 134 -501 -1125 -3926 SS 20220913T114402.1Z 8291.488913 206 1 45.85 2 81.47 92.92 62.96 257.43 0.00 1 0.00 1 0 17 6.912e-01 1.049e-02 1.425e-01 2.946e-03 7.908396e-01 1.600013e-03 8.809167e-03 -6.000000e+00 3.882835e-01 229.26 -2.00 3.55 -2.00 321.83 0.00e+00 2.830851e-03 9.286885e-04 2.186577e-03 -6.000000e+00 1.729730e-02 285.59 -2.00 20.00 -2.00 321.31 0.00e+00 6.345 0.005 302.00 328.00 3 5.0921e-01 6.2528e-03 7.6056e-02 -6.0000e+00 9.6764e-01 2.5397e-01 9.3127e-03 4.5515e-02 -6.0000e+00 1.0514e+00 -3.3692e-01 9.6247e-03 2.4710e-02 -6.0000e+00 6.2651e-01 1.3060e-01 4.3627e-03 8.1448e-03 -6.0000e+00 2.6574e-01 3.0102e-04 -5.5863e-04 7.7360e-05 1.1239e-04 -6.0000e+00 1.7648e-02 1.1222e-03 1.7920e-05 12 8 8 10 0 0 -13.19 18.37 0.44 0.00112 -0.00308 269 83 1 8 0 170.430 15.00 18.37 21.98 21.79 21.79 12.4 950.62 -262316 -198229 -197267 -226653 -257485 -156094 -243169 -220668 -233415 -118743 -215748 -147597 -143997 -142852 -127112 -51761 -83470 -57888 -47127 -84025 -24062 -57645 4462 -97238 -16956 -54736 -60500 -56663 -54496 -62660 -46952 -18402 -3806 -5518 -26700 -13264 -20830 -5913 -7103 5563 -3101 13704 7754 -2055 7141 8552 4526 -5342 8192 4169 11987 9133 14560 7250 14706 6831 7890 4475 7951 2710 3651 10106 4698 7485 8002 7385 184 3973 5061 4352 3195 5542 3076 2455 2049 1060 -2576 -1221 196 -1442 651 416 -1073 -1536 -473 165 137 -267 730 431 70 -110 -430 -1078 -1135 -1174 -316 157 -738 -563 -1034 -908 -1658 -1581 -1873 -1842 -1301 -1045 -638 -95 490 235 189 -138 -35 -135 -100 223 305 179 249 619 200 814 1050 462 558 1221 196 359 195 126 -324 -131 -42 -331 88 449 36 -194 7 -255 -785 -2878 -1346 -1443 -2131 -2959 -718 -2668 -2190 -2987 -580 -2913 -1187 -1489 -1929 -1899 -446 -1127 -682 -542 -1473 -235 -778 35 -2319 -195 -975 -1165 -1009 -939 -1332 -1079 -386 -82 -130 -729 -316 -604 -177 -267 224 -153 614 390 -116 373 455 259 -356 511 296 902 800 1334 789 1584 832 984 570 939 330 458 1333 760 1357 1522 1383 38 829 1178 1193 885 1707 947 707 533 248 -597 -293 54 -493 257 174 -499 -759 -248 92 80 -159 430 243 37 -55 -232 -569 -696 -850 -266 154 -787 -591 -1013 -791 -1315 -1282 -1653 -1704 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