File name: Pandora206s1_BuffaloNY_20241112_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241113T124443.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun 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_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20241112_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: 20241112 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 20241112T142805.6Z 9082.602842 202 1 45.76 2 70.14 141.66 135.48 8.32 0.00 1 0.00 1 0 17 7.365e-02 6.131e-03 7.055e-02 5.033e-03 3.812482e-01 2.490297e-03 4.584019e-03 -6.000000e+00 4.059371e-02 222.89 -2.00 3.55 -2.00 319.57 0.00e+00 -1.364763e-03 6.778865e-04 1.634924e-04 -6.000000e+00 1.786859e-03 278.00 -2.00 20.00 -2.00 318.94 0.00e+00 2.912 0.000 302.00 328.00 3 4.8983e+00 7.0004e-03 3.4472e-02 -6.0000e+00 9.9973e-02 -7.4266e-04 8.2651e-03 1.9800e-02 -6.0000e+00 1.0905e-01 2.5074e-02 6.5828e-03 1.0057e-02 -6.0000e+00 6.5016e-02 -1.7718e-02 3.4714e-03 3.2922e-03 -6.0000e+00 2.7939e-02 1.4603e-04 -6.7608e-04 1.4477e-04 3.3874e-05 -6.0000e+00 1.8737e-03 -3.7612e-02 1.1166e-04 10 0 0 10 0 0 99.99 18.03 0.27 -0.03761 -0.04269 141 44 1 8 0 324.540 15.00 18.03 11.37 21.58 21.38 23.4 917.96 1214 20196 2067 -3119 29053 52910 14888 23366 -19493 3527 -32801 -7814 -13970 9663 -8788 6992 -7797 2575 -288 5850 11949 -228 -565 -1469 1443 -11386 -449 -1903 2390 -3102 6445 -153 5806 -2979 696 -5494 -3861 -833 -911 -744 -1284 -821 -810 -390 -802 449 -1144 -1444 -625 866 -78 2013 -521 461 329 462 1972 219 148 -373 2076 1557 1471 1941 800 -46 -1507 -235 118 138 445 206 190 974 -85 1416 1482 1078 708 -745 -897 -1074 -2497 -1336 -1229 -616 64 -535 226 163 657 442 1303 489 1269 -137 681 682 592 132 -309 -1161 -1157 151 -1080 -786 -789 207 -883 336 233 637 175 -2 -323 1 81 346 -49 -61 -162 -671 192 122 634 342 552 507 530 -240 -20 238 -359 124 -125 45 -145 341 219 88 -158 -334 -369 26 412 54 -84 519 706 301 494 -702 116 -1514 -288 -632 409 -527 414 -556 182 -22 446 886 -19 -48 -134 138 -1315 -48 -204 226 -306 634 -18 712 -417 92 -736 -557 -131 -174 -172 -337 -227 -234 -114 -234 130 -336 -420 -181 250 -25 677 -192 181 136 197 854 97 64 -159 878 711 742 1072 462 -25 -785 -119 63 84 302 148 137 670 -55 807 792 551 381 -450 -620 -837 -2148 -1187 -1167 -626 68 -572 251 175 650 403 1090 400 1098 -134 747 844 769 171 -392 -1359 -1241 162 -1281 -983 -1031 284 -1250 508 381 1074 291 -3 -487 2 113 499 -76 -101 -263 -1109 307 187 920 477 729 670 765 -379 -34 419 -652 233 -242 93 -305 730 474 186 -318 -667 -714 SS 20241112T144435.8Z 9082.614303 213 1 45.74 2 68.35 145.39 134.85 13.83 0.00 1 0.00 1 0 25 4.326e-02 6.454e-03 3.243e-02 3.753e-03 3.487011e-01 1.840307e-03 4.240560e-03 -6.000000e+00 2.385001e-02 222.89 -2.00 3.55 -2.00 318.98 0.00e+00 9.181096e-04 4.206890e-04 2.977970e-04 -6.000000e+00 1.049769e-03 278.00 -2.00 20.00 -2.00 318.35 0.00e+00 2.687 0.000 302.00 328.00 3 5.1679e+00 5.0293e-03 3.1722e-02 -6.0000e+00 5.8738e-02 3.2928e-02 5.8116e-03 1.8155e-02 -6.0000e+00 6.4060e-02 1.0289e-03 4.2412e-03 9.0383e-03 -6.0000e+00 3.8195e-02 -8.9631e-03 2.2553e-03 2.8043e-03 -6.0000e+00 1.6419e-02 1.4181e-04 -3.7821e-04 1.0615e-04 2.9125e-05 -6.0000e+00 1.1005e-03 -3.8523e-02 1.6214e-04 11 8 0 10 0 0 99.98 18.03 0.58 -0.03852 -0.04136 52 16 1 8 0 879.540 15.00 18.03 11.96 21.58 21.48 23.3 920.82 15991 8004 -4135 8354 -7796 27574 -26757 5696 -7316 6063 -3696 8636 -3875 1574 -1884 464 1101 -4856 -5323 -1332 1734 -4637 8998 413 792 -5532 -989 1426 -5189 5397 1286 356 1963 682 -3081 -2577 -2689 -1218 -895 -67 -1846 -1196 397 -1048 -531 -993 96 -4471 1161 -447 768 104 655 1212 3027 881 1701 423 -121 -675 932 2245 1243 1819 -79 498 -1028 -238 -35 324 632 162 448 755 316 219 664 -494 636 -795 -905 -687 -2852 -1244 -1422 171 8 -262 289 1024 778 263 247 -48 -28 107 706 927 293 -204 478 -484 -1043 -506 -666 -824 -812 -688 -275 -5 320 302 -221 -93 154 319 51 -25 -40 -261 -575 -315 124 76 321 842 374 1204 839 381 971 -97 -110 -32 -247 -87 -10 206 -155 -158 149 -583 -300 475 283 -175 305 -294 710 -1208 216 -357 283 -190 400 -225 103 -150 42 105 -519 -604 -152 197 -556 956 51 104 -814 -143 192 -690 662 179 53 321 122 -538 -440 -500 -248 -219 -20 -615 -417 142 -388 -195 -369 35 -1687 412 -163 294 44 292 573 1472 447 879 222 -62 -343 476 1218 750 1152 -53 318 -624 -140 -21 219 476 128 357 576 225 146 396 -283 375 -545 -682 -578 -2661 -1191 -1458 179 8 -301 334 1138 830 258 223 -42 -26 111 788 1162 401 -277 608 -570 -1176 -573 -799 -1048 -1079 -965 -392 -8 526 511 -367 -145 228 441 70 -35 -61 -414 -933 -499 191 116 464 1163 510 1622 1190 589 1592 -162 -187 -56 -466 -167 -21 416 -316 -313 282 -1102 -547 SS 20241112T144904.6Z 9082.617415 215 1 1.44 2 67.89 146.43 134.63 15.31 0.00 1 0.00 1 0 17 4.425e-02 8.868e-03 6.715e-02 1.040e-02 3.382471e-01 5.090916e-03 4.151218e-03 -6.000000e+00 2.440362e-02 222.89 -2.00 3.55 -2.00 318.38 0.00e+00 1.960405e-03 9.883890e-04 4.456114e-04 -6.000000e+00 1.074122e-03 277.99 -2.00 20.00 -2.00 317.74 0.00e+00 2.635 0.000 302.00 328.00 3 3.7575e+00 1.3639e-02 3.1055e-02 -6.0000e+00 6.0102e-02 7.7458e-04 1.5557e-02 1.7969e-02 -6.0000e+00 6.5537e-02 -6.0545e-03 1.0626e-02 8.7180e-03 -6.0000e+00 3.9075e-02 -3.7968e-03 5.6350e-03 3.1665e-03 -6.0000e+00 1.6805e-02 6.3012e-04 -1.1000e-04 2.8754e-04 2.9261e-05 -6.0000e+00 1.1256e-03 -3.9744e-02 2.2741e-04 12 9 1 12 1 1 999.00 18.03 0.44 -0.03974 -0.04057 1 20 1 8 0 719.190 15.00 18.03 12.08 21.58 21.48 23.2 920.97 16872 11645 24663 -12959 5362 -846 5488 -14883 8520 -10711 -6206 5971 -9459 3773 -3979 16988 1676 9424 124 1820 -1303 -980 -3028 705 3889 -920 3559 -4108 3443 -327 9743 288 2405 -2883 1014 -7068 966 -5190 391 -158 -1054 2076 -2486 225 -2796 1349 -1555 1975 -2192 -6231 -2696 1555 1022 504 2613 155 1511 -1447 1841 -2142 1260 605 2924 507 411 1427 -1226 -923 1927 1155 -1155 -524 425 1028 -463 1362 -618 996 -304 -77 -1456 -227 -2355 -423 -987 -935 169 -763 183 -709 1518 -3 244 1464 1594 209 442 522 872 727 792 -781 -591 1249 -1563 552 -821 -16 -482 -387 -248 57 -67 -503 -139 489 367 -1029 -127 244 -411 -653 -268 -511 819 40 347 1331 758 124 151 238 250 -278 116 -71 -237 535 -735 -363 662 26 -353 661 550 1087 -812 246 -38 255 -906 462 -764 -423 379 -778 323 -434 1735 214 1174 18 270 -206 -152 -485 116 654 -170 645 -769 555 -54 1592 57 517 -682 225 -1605 220 -1395 120 -56 -425 855 -1082 97 -1248 603 -690 861 -992 -2859 -1269 765 537 276 1464 91 894 -884 1062 -1268 737 384 1938 377 306 1011 -832 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