File name: Pandora206s1_BuffaloNY_20220531_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T033610.7Z 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_20220531_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: 20220531 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 20220531T105055.5Z 8186.452032 84 1 6.25 2 79.05 70.12 84.89 60.28 0.00 1 0.00 1 0 25 4.534e-01 1.734e-02 4.154e-01 1.838e-02 6.732493e-01 1.024012e-02 7.921858e-03 -6.000000e+00 2.676323e-01 231.92 -2.00 3.55 -2.00 321.25 0.00e+00 8.405630e-04 5.011084e-03 4.587154e-03 -6.000000e+00 1.212648e-02 282.96 -2.00 20.00 -2.00 320.71 0.00e+00 5.072 0.002 302.00 328.00 3 3.4660e+00 3.5269e-02 6.5235e-02 -6.0000e+00 6.7735e-01 -7.4837e-02 4.9820e-02 4.6193e-02 -6.0000e+00 7.3752e-01 9.9356e-02 5.1089e-02 2.3212e-02 -6.0000e+00 4.2805e-01 -4.5435e-02 2.3929e-02 6.3354e-03 -6.0000e+00 1.8280e-01 5.8876e-05 3.1595e-03 5.2416e-04 1.0350e-04 -6.0000e+00 1.2349e-02 -3.6223e-02 8.7119e-04 12 9 9 12 9 1 99.03 22.45 -0.21 -0.03622 -0.01248 3 9 1 8 0 1518.010 19.00 22.45 28.09 25.79 -99.00 9.7 1029.50 900000 900000 900000 -158371 -137456 40391 900000 900000 900000 900000 -74914 -63865 -148641 29328 -62797 21983 70737 900000 -793 24125 900000 51345 28267 900000 36125 44652 57834 64472 79724 108469 52882 78605 90164 33392 314233 -36506 900000 35779 17770 38243 -19023 -802 45291 20525 -2355 2391 -35611 17867 40169 8588 4179 26586 -930 6966 83845 17279 -7500 2434 6012 -2135 -6632 -1750 -5435 -18182 970 -5326 3932 2077 2097 1856 3547 2237 4510 1169 2984 -2231 -5335 1027 -683 -3429 -1614 23 -2165 -1377 -714 3456 -360 184 -1593 -636 -996 -4063 -1938 -2368 3472 1979 933 874 1180 -780 1339 -122 -539 -749 -756 -214 -2499 2212 -17 -1694 -146 665 648 675 965 -191 40 631 248 -42 -832 814 -355 -1398 2034 -907 -1401 1191 2016 243 1724 -111 -158 -2098 -930 -375 -932 696 -323 436 275 825 196 900000 900000 900000 -2832 -2458 722 900000 900000 900000 900000 -1340 -1142 -4350 524 -1327 393 1265 900000 -18 475 900000 918 607 900000 904 1118 1344 1383 1426 1940 1608 2249 2741 700 5619 -1369 900000 927 646 1412 -1361 -52 2050 1239 -176 176 -3840 1248 2379 726 417 2420 -120 920 5904 2416 -1369 407 945 -357 -1189 -329 -1212 -5298 251 -1437 958 533 589 613 1260 850 1727 440 1012 -712 -1628 295 -222 -1374 -727 12 -1260 -841 -466 2323 -258 136 -1199 -459 -689 -2707 -1212 -1517 2349 1538 849 896 1331 -899 1421 -123 -486 -676 -743 -221 -2701 2449 -21 -2325 -216 1035 1013 1020 1409 -269 56 926 389 -67 -1331 1260 -538 -2060 2844 -1262 -1881 1612 3001 404 3114 -213 -319 -4456 -2103 -869 -2215 1661 -782 1022 608 1750 403 SS 20220531T110148.8Z 8186.459593 89 1 45.80 2 77.16 71.84 83.19 61.95 0.00 1 0.00 1 0 25 2.306e-01 5.471e-03 1.101e-01 2.479e-03 5.782000e-01 1.310993e-03 6.578990e-03 -6.000000e+00 1.314089e-01 231.92 -2.00 3.55 -2.00 320.93 0.00e+00 8.004688e-04 5.686190e-04 6.016856e-04 -6.000000e+00 5.711638e-03 282.96 -2.00 20.00 -2.00 320.32 0.00e+00 4.381 0.002 302.00 328.00 3 2.2441e+00 4.2548e-03 5.3230e-02 -6.0000e+00 3.2996e-01 -7.0661e-04 5.6316e-03 3.1793e-02 -6.0000e+00 3.5727e-01 -3.2394e-02 5.5190e-03 1.6339e-02 -6.0000e+00 2.1213e-01 5.7976e-03 2.6889e-03 4.9999e-03 -6.0000e+00 8.9773e-02 4.1745e-04 3.8246e-05 6.9896e-05 5.3579e-05 -6.0000e+00 5.8786e-03 -3.0384e-02 2.8440e-04 10 0 0 10 0 0 99.96 22.45 0.33 -0.03038 -0.03010 284 88 1 8 0 161.260 19.00 22.45 28.57 25.79 -99.00 9.7 1031.93 -126889 -88826 -70149 -67147 -55997 -73752 -61359 -8847 -13375 -21966 -72037 -92687 -52388 -42934 -27172 -55888 -20682 -9481 -5499 -18087 -5848 -11976 -24760 2859 -2349 -11253 -12917 -14027 -24933 -11035 -16977 -8109 -1394 8723 -2498 -8144 -110 4207 84 50 -3201 -605 258 514 531 -129 -2797 1246 3027 -241 818 1954 4514 2006 2466 -598 1880 1270 -370 1154 971 2005 2320 3902 1438 1344 -1325 354 941 1563 20 839 895 998 423 -1180 -1269 -1106 -789 -1282 -970 -698 -1550 -1368 -646 -469 123 330 1267 531 785 285 442 5 517 -436 95 567 196 -189 -154 -975 -1107 196 -995 -970 -1326 -374 -385 -132 308 289 411 450 -53 -46 64 67 174 129 -387 -226 233 165 764 112 187 652 557 212 322 19 -253 -68 -185 -68 -224 200 -100 53 63 -67 -272 -1319 -752 -543 -503 -338 -517 -415 -41 -74 -149 -836 -1434 -671 -633 -427 -1419 -415 -188 -114 -455 -136 -295 -724 71 -66 -373 -453 -482 -910 -366 -702 -361 -67 422 -129 -431 -6 257 6 4 -332 -66 29 60 63 -16 -354 155 383 -33 124 328 806 402 525 -137 436 299 -86 259 224 499 651 1218 487 437 -431 115 330 635 9 404 431 458 180 -455 -451 -387 -301 -583 -512 -421 -1038 -963 -485 -378 103 288 1101 450 614 208 306 4 397 -388 96 606 230 -222 -185 -1079 -1111 195 -1095 -1127 -1625 -445 -496 -188 483 479 676 711 -79 -65 91 98 275 214 -646 -365 363 247 1087 168 270 958 843 360 596 38 -521 -148 -431 -155 -520 472 -239 121 148 -149 -585 SS 20220531T111225.0Z 8186.466956 95 1 17.34 2 75.31 73.51 81.52 63.56 0.00 1 0.00 1 0 17 1.610e-01 6.384e-03 1.779e-01 4.465e-03 5.163268e-01 2.307765e-03 5.984971e-03 -6.000000e+00 9.176549e-02 231.92 -2.00 3.55 -2.00 320.34 0.00e+00 8.005474e-04 8.273023e-04 1.155090e-03 -6.000000e+00 3.988674e-03 282.96 -2.00 20.00 -2.00 319.69 0.00e+00 3.864 0.001 302.00 328.00 3 3.3068e+00 7.0075e-03 4.7212e-02 -6.0000e+00 2.3042e-01 3.1974e-02 8.7020e-03 2.8488e-02 -6.0000e+00 2.4949e-01 -2.9891e-02 7.8360e-03 1.4233e-02 -6.0000e+00 1.4813e-01 3.2090e-03 3.9763e-03 4.0513e-03 -6.0000e+00 6.2687e-02 2.4328e-04 -1.4491e-04 1.2457e-04 4.4019e-05 -6.0000e+00 4.1053e-03 -2.9704e-02 2.9573e-04 12 1 1 12 1 1 99.97 22.44 0.35 -0.02970 -0.03079 29 25 1 8 0 572.480 19.00 22.44 28.73 25.79 -99.00 9.6 1032.44 -68073 64503 -36702 8054 -48720 16719 -57145 4045 -46451 92961 -75601 15929 -19611 -10500 -6353 -5434 9184 13543 8223 -3955 15532 -20898 -13979 33 4198 -4941 1651 1890 -6924 -6662 -3394 -4769 -12519 4164 -5771 488 -4123 -1655 1498 229 -249 428 -411 -5244 -1578 -1177 -1093 -430 1083 -859 2398 291 3500 492 1624 -782 2594 1306 2591 1089 1724 3731 2720 2537 13 834 441 725 -157 1110 650 1364 173 -18 749 -1130 -1894 -2678 -1705 -2801 -1122 -809 -1779 -1435 127 -473 718 -596 1333 96 330 -463 -865 -1294 -90 199 542 1282 409 76 -428 -546 -1034 -684 -570 -967 -406 156 -274 346 678 499 1159 -30 -10 -657 4 -209 -204 119 334 160 644 55 226 -194 -504 906 -440 62 -41 -177 -474 -360 -79 -71 35 500 110 -46 166 -211 -150 -862 281 -436 61 -579 99 -769 34 -736 405 -1826 164 -349 -212 -151 -153 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