File name: Pandora206s1_BuffaloNY_20240912_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T091635.9Z 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_20240912_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: 20240912 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 20240912T115836.3Z 9021.499031 61 1 45.64 2 78.72 95.27 165.66 349.70 0.00 1 0.00 1 0 17 3.968e-01 9.459e-03 2.796e-01 5.903e-03 6.643417e-01 3.146959e-03 7.498961e-03 -6.000000e+00 2.252338e-01 229.26 -2.00 3.55 -2.00 321.26 0.00e+00 1.731071e-03 1.521778e-03 5.073732e-04 -6.000000e+00 1.009137e-02 285.59 -2.00 20.00 -2.00 320.67 0.00e+00 4.934 0.002 302.00 328.00 3 3.4992e+00 1.0819e-02 6.0110e-02 -6.0000e+00 5.6290e-01 1.0434e-01 1.5066e-02 3.6620e-02 -6.0000e+00 6.1086e-01 -1.8147e-01 1.5137e-02 1.9190e-02 -6.0000e+00 3.6232e-01 6.7982e-02 7.2074e-03 6.7157e-03 -6.0000e+00 1.5443e-01 6.4206e-05 -4.0636e-04 1.6090e-04 6.5876e-05 -6.0000e+00 1.0197e-02 -4.2912e-02 2.3499e-04 12 8 8 10 0 0 -35.73 18.30 0.69 -0.04291 -0.04597 37 11 4 8 0 1233.330 15.00 18.30 23.54 21.17 21.38 24.0 965.59 -211814 -89921 -153655 -148033 -78728 -163442 -156160 -5149 900000 -14077 -34866 -37409 -140166 -7443 -75354 15013 42581 -56588 -30708 -30505 900000 -8556 -15417 -19726 -13930 -67096 -28635 -44617 -33797 -37584 -687 -18925 80300 22683 17559 -822 -5391 -222 24326 9448 4706 -12772 912 -1962 497 3349 768 -12412 2760 4814 2642 8346 7786 2186 2909 3684 2901 4193 2826 -3429 -768 396 66 2587 1561 1334 2396 2306 4184 -342 3535 3304 2091 1951 1919 149 1883 -2353 -891 -873 -2214 105 -2866 -2131 -1554 1095 755 596 762 729 1143 -114 1122 -517 146 -1516 125 138 -429 -449 211 -421 -795 -1887 451 -1341 -1825 -365 -820 -108 -59 292 -922 -382 131 491 708 90 -7 129 223 -611 565 578 1806 -824 896 479 810 206 922 -127 178 -603 39 145 -554 456 124 -72 -126 -562 -273 -3103 -517 -1688 -1549 -453 -1710 -1634 -30 900000 -81 -201 -215 -2566 -51 -1301 130 319 -1270 -583 -614 900000 -143 -284 -420 -305 -2664 -807 -1438 -934 -1125 -17 -675 1248 705 556 -30 -223 -10 1078 598 360 -1257 83 -190 47 316 76 -1443 289 524 327 1105 1138 371 527 691 571 820 543 -683 -151 84 16 698 460 385 670 662 1274 -115 1293 1279 820 728 723 51 581 -753 -309 -361 -995 53 -1667 -1301 -1009 744 542 443 570 530 769 -72 672 -318 99 -1216 114 146 -508 -537 237 -432 -732 -1729 439 -1408 -2022 -427 -1052 -154 -87 458 -1477 -590 191 735 1058 141 -10 208 358 -949 915 903 2665 -1208 1239 679 1296 344 1686 -253 371 -1333 93 362 -1317 1093 301 -183 -298 -1262 -586 SS 20240912T120458.9Z 9021.503460 64 1 45.47 2 77.56 96.39 165.81 355.04 0.00 1 0.00 1 0 17 3.352e-01 6.567e-03 2.030e-01 3.876e-03 6.155737e-01 2.043845e-03 7.042382e-03 -6.000000e+00 1.894768e-01 229.26 -2.00 3.55 -2.00 320.96 0.00e+00 1.021751e-04 9.058885e-04 6.303460e-04 -6.000000e+00 8.403846e-03 285.59 -2.00 20.00 -2.00 320.33 0.00e+00 4.509 0.002 302.00 328.00 3 3.2470e+00 6.7100e-03 5.5165e-02 -6.0000e+00 4.7229e-01 2.4700e-02 9.0108e-03 3.3600e-02 -6.0000e+00 5.1190e-01 -8.0452e-02 8.8738e-03 1.7309e-02 -6.0000e+00 3.0509e-01 2.5949e-02 4.3205e-03 5.1264e-03 -6.0000e+00 1.3041e-01 1.3113e-04 -3.7784e-04 1.0611e-04 5.6961e-05 -6.0000e+00 8.5421e-03 -4.1996e-02 2.2681e-04 11 8 0 10 0 0 -23.41 18.30 0.50 -0.04200 -0.04484 58 18 4 8 0 783.890 14.99 18.30 23.98 21.17 21.38 24.0 968.33 -188611 -52904 213844 -84960 -100047 -7633 -62082 -54789 -115318 -97319 -16882 -71757 -63945 -54360 -39660 -26749 36113 -21053 -8020 -5689 -3361 -5318 14711 3780 -13447 -32657 -29200 -24415 -33992 -2386 -18662 1581 -13051 14553 -4984 -2053 -6981 664 6196 5516 1958 -54 782 -2341 3027 4402 -215 -4208 192 1759 3736 3734 237 -123 394 4892 1676 3723 659 -1086 -2105 -697 -237 3062 -377 975 -601 1852 4108 435 2236 1235 1489 867 1162 -2269 471 -2684 -552 -1012 -2242 -248 -1016 -1766 -870 -30 -585 535 623 10 566 390 634 609 417 -646 334 377 553 -129 -12 -1053 -162 -795 -584 -1254 -717 -813 -366 -288 455 558 -269 405 -185 489 -381 -39 342 33 -342 131 356 622 874 -259 188 620 463 17 306 -193 70 -281 -221 -102 -253 565 -184 -182 28 -294 72 -2722 -260 808 -642 -794 -29 -352 -331 -1482 -1177 -96 -759 -773 -760 -600 -435 355 -406 -149 -110 -66 -107 250 80 -371 -1173 -1060 -821 -1195 -63 -684 56 -626 594 -239 -92 -359 37 405 448 190 -6 88 -280 344 504 -26 -547 25 237 546 617 44 -25 87 1078 398 874 155 -253 -504 -179 -69 973 -121 330 -201 617 1441 167 953 562 678 378 466 -925 171 -993 -218 -476 -1138 -142 -650 -1203 -629 -23 -478 447 525 8 431 276 426 411 311 -561 331 430 640 -151 -14 -1168 -160 -783 -624 -1430 -854 -1036 -462 -404 705 922 -450 650 -281 698 -548 -58 542 55 -576 211 557 936 1250 -362 274 913 704 30 575 -391 148 -578 -488 -238 -606 1369 -454 -430 63 -620 158 SS 20240912T121014.7Z 9021.507114 66 1 45.94 2 76.60 97.31 165.85 359.50 0.00 1 0.00 1 0 17 2.735e-01 6.297e-03 9.464e-02 2.790e-03 5.795034e-01 1.466587e-03 6.700293e-03 -6.000000e+00 1.546575e-01 229.26 -2.00 3.55 -2.00 320.74 0.00e+00 1.445828e-03 6.056422e-04 6.299175e-04 -6.000000e+00 6.858866e-03 285.59 -2.00 20.00 -2.00 320.10 0.00e+00 4.210 0.001 302.00 328.00 3 2.9990e+00 4.6976e-03 5.1615e-02 -6.0000e+00 3.8550e-01 1.1169e-02 6.1015e-03 3.1343e-02 -6.0000e+00 4.1778e-01 -5.3160e-02 5.7917e-03 1.6190e-02 -6.0000e+00 2.4899e-01 1.3038e-02 2.8667e-03 5.2314e-03 -6.0000e+00 1.0647e-01 2.2920e-04 1.6910e-04 7.6926e-05 5.7079e-05 -6.0000e+00 6.9688e-03 -4.3111e-02 2.9160e-04 10 0 0 10 0 0 -0.14 18.30 0.51 -0.04311 -0.04184 88 27 4 8 0 522.020 14.99 18.30 24.36 21.17 21.38 24.0 970.88 -132571 -104950 -60173 -98843 -46589 -120414 -88299 -66752 -74362 -78904 -21020 -70056 -89099 -38627 -35736 -17356 -17409 -3609 -22533 -10018 -5781 -7021 -8028 -1084 -10810 -22303 -13757 -14256 -10777 -6839 5021 -11214 489 -1602 -336 -9291 -5733 3045 6366 -4888 101 401 -2153 1710 1424 4005 -2796 -602 -3105 2683 836 3099 796 727 1298 3326 3714 1326 794 -1316 1496 1540 2195 2447 2648 1904 1213 -546 644 213 1443 911 857 1145 268 42 -660 -778 -1772 -933 -1513 -448 -2154 -1661 -1471 -291 129 -214 551 240 1076 168 1171 -477 945 -258 408 447 270 -151 120 -454 -1173 -277 -1073 -1156 -1009 -590 -638 400 248 348 -93 235 -5 287 240 33 35 -92 -190 -103 357 -10 787 99 536 627 692 354 436 -123 -252 -174 -112 -49 -346 364 -159 -53 109 -278 -182 -1623 -1171 -475 -1156 -292 -1507 -865 -599 -829 -1030 -160 -934 -1770 -588 -661 -326 -369 -74 -607 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