File name: Pandora206s1_BuffaloNY_20220912_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T041512.6Z 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_20220912_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: 20220912 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 20220912T120040.8Z 8290.500473 207 1 6.70 2 78.24 95.46 78.04 263.88 0.00 1 0.00 1 0 17 5.196e-01 1.750e-02 3.367e-01 1.487e-02 5.703097e-01 7.802611e-03 6.805282e-03 -6.000000e+00 2.930155e-01 229.35 -2.00 3.55 -2.00 320.57 0.00e+00 5.001393e-03 3.101024e-03 2.294848e-03 -6.000000e+00 1.415688e-02 285.68 -2.00 20.00 -2.00 319.89 0.00e+00 4.749 0.002 302.00 328.00 3 3.5694e+00 2.4387e-02 5.5836e-02 -6.0000e+00 7.3043e-01 1.7444e-01 3.1198e-02 3.1698e-02 -6.0000e+00 7.9426e-01 -1.1810e-01 2.8810e-02 1.7920e-02 -6.0000e+00 4.7226e-01 3.2165e-02 1.4375e-02 6.8899e-03 -6.0000e+00 2.0367e-01 7.3713e-05 2.6376e-05 4.1085e-04 8.0322e-05 -6.0000e+00 1.3519e-02 -4.0569e-04 -5.5480e-06 12 9 9 12 1 1 999.00 18.42 0.73 -0.00041 -0.00021 2 14 1 8 0 2176.320 15.00 18.42 27.45 21.88 21.88 12.5 982.53 900000 33462 900000 -127253 900000 -146930 -78611 -129898 -62671 900000 -44473 96728 -14128 900000 -61054 162747 36915 412978 -28581 47103 -21561 900000 81004 -36228 -11880 -25917 37367 8916 223930 -32383 55057 -5801 17153 -8624 26793 -28713 9166 -12126 3264 -12587 -7050 9229 3861 -2195 -4482 15272 -4497 10211 2181 -98 -4681 11396 -1117 3004 1082 4299 1809 1554 9851 -7198 3485 -4169 7170 11 6255 2074 1942 -2264 4526 -269 1243 -510 -688 4909 -2192 4266 -4649 -1394 -4742 -1974 -1442 1432 -1669 -324 -2881 1060 48 -275 2628 -1141 2610 -3439 1315 -3985 1330 -520 2114 389 -611 -1624 -473 -1938 -418 282 -790 -459 -2476 1456 -1814 1508 -186 1275 60 1695 -1508 1089 881 -175 291 392 1257 143 -22 -2112 721 -367 1091 300 381 615 -75 1646 70 -3980 558 379 257 735 -1113 600 -523 75 286 900000 485 900000 -2686 900000 -3345 -1139 -3011 -908 900000 -644 1401 -205 900000 -1997 2358 613 5983 -1084 910 -818 900000 1174 -1775 -481 -1270 1017 309 3244 -1766 1547 -339 921 -632 1317 -2386 586 -1132 320 -1722 -1009 1192 554 -342 -726 2082 -759 1527 366 -18 -995 2282 -267 746 287 1135 502 427 2489 -2080 976 -1358 2366 4 2382 782 723 -899 1861 -130 649 -280 -371 2422 -1055 1718 -1917 -564 -2241 -1076 -878 961 -1213 -244 -2396 904 42 -249 2299 -1013 2059 -2684 960 -3077 1096 -490 2228 465 -766 -2007 -551 -2116 -413 288 -886 -523 -3043 1843 -2517 2197 -294 2061 96 2608 -2239 1549 1278 -264 454 636 1993 226 -34 -3177 1033 -512 1481 423 592 1030 -133 3043 134 -8190 1177 818 566 1644 -2519 1297 -1083 149 570 SS 20220912T120755.6Z 8290.505504 210 1 14.96 2 76.92 96.73 79.30 265.13 0.00 1 0.00 1 0 17 1.638e-01 5.471e-03 4.196e-02 1.926e-03 5.132967e-01 9.809928e-04 5.952858e-03 -6.000000e+00 9.206869e-02 229.35 -2.00 3.55 -2.00 320.28 0.00e+00 1.073458e-03 3.518477e-04 2.925777e-04 -6.000000e+00 4.101431e-03 285.68 -2.00 20.00 -2.00 319.58 0.00e+00 4.305 0.001 302.00 328.00 3 1.3101e+00 2.9735e-03 5.0098e-02 -6.0000e+00 2.2949e-01 4.1508e-02 3.6851e-03 2.7406e-02 -6.0000e+00 2.4932e-01 -3.8178e-02 3.2197e-03 1.3521e-02 -6.0000e+00 1.4856e-01 6.5218e-03 1.6363e-03 4.0567e-03 -6.0000e+00 6.3014e-02 1.2184e-03 -2.0959e-04 5.3139e-05 4.3525e-05 -6.0000e+00 4.1830e-03 4.2156e-04 9.4201e-06 12 1 1 12 1 1 91.46 18.42 0.29 0.00042 -0.00115 97 94 1 8 0 150.990 15.00 18.42 27.68 21.88 21.79 12.6 983.83 -60720 -58123 -50337 -54009 -68887 -52253 -76302 -33311 -56747 -27940 -45977 -23969 -33252 -21544 -14594 -5326 -12255 -7571 -5455 -6069 -2256 -8620 -3160 -14304 -2350 -4902 -3997 -10546 -3482 -8233 -5168 -9934 41 -2309 -4688 -4243 -3128 -729 1146 1898 -1205 2721 614 390 429 1260 -122 412 -2578 1307 2257 1573 2529 1910 2108 1420 787 920 823 410 1146 739 2045 2831 606 696 -98 169 1174 379 906 813 530 120 100 -625 -1373 -1857 -672 -1049 -593 -985 -1568 -1559 -671 -534 -342 113 595 688 682 393 312 336 -185 -64 449 767 5 -32 -361 -527 -650 -323 -1149 -1031 -838 -405 -125 264 407 113 232 18 -67 265 82 31 -130 -175 -236 -20 313 283 608 254 621 902 331 385 118 14 -263 0 -122 -117 -102 130 15 -190 35 -300 -192 -798 -852 -728 -771 -1022 -658 -1347 -438 -1077 -430 -864 -401 -756 -538 -417 -162 -437 -282 -213 -252 -92 -374 -138 -766 -120 -272 -223 -596 -176 -466 -331 -765 3 -200 -386 -348 -287 -77 148 291 -211 487 118 76 84 250 -25 84 -560 287 546 385 663 546 632 444 255 296 257 127 369 263 809 1232 275 297 -41 72 549 207 539 503 324 70 53 -299 -614 -836 -334 -615 -399 -752 -1298 -1244 -573 -487 -326 110 577 636 581 341 256 282 -159 -63 502 973 6 -40 -448 -594 -679 -351 -1372 -1288 -1102 -523 -174 404 677 180 391 29 -100 377 119 47 -211 -298 -399 -32 496 430 880 356 900 1263 522 668 206 25 -499 0 -262 -246 -218 284 32 -395 75 -606 -380 SS 20220912T123027.1Z 8290.521147 220 1 4.46 2 72.85 100.74 83.23 268.96 0.00 1 0.00 1 0 25 9.824e-02 1.014e-02 1.392e-01 1.172e-02 4.116068e-01 5.857210e-03 4.887561e-03 -6.000000e+00 5.521210e-02 229.35 -2.00 3.55 -2.00 319.12 0.00e+00 2.869309e-04 1.442230e-03 2.403336e-04 -6.000000e+00 2.459451e-03 285.67 -2.00 20.00 -2.00 318.35 0.00e+00 3.341 0.001 302.00 328.00 3 4.2089e+00 1.6358e-02 3.9256e-02 -6.0000e+00 1.3762e-01 5.3734e-02 1.9073e-02 2.1823e-02 -6.0000e+00 1.4951e-01 -1.7755e-02 1.4126e-02 1.0660e-02 -6.0000e+00 8.9088e-02 1.7874e-03 7.4385e-03 2.9464e-03 -6.0000e+00 3.7793e-02 1.8210e-04 -6.6475e-04 3.2295e-04 2.9970e-05 -6.0000e+00 2.5082e-03 -6.9860e-04 -3.8019e-06 12 9 9 12 1 1 999.00 18.42 0.41 -0.00070 -0.00569 1 14 1 8 0 2146.460 14.99 18.42 28.93 21.88 21.79 12.6 991.91 21304 15589 -47960 17892 -50531 -1962 -7434 54384 -13543 22693 -12993 -14910 -20202 10360 -4698 7532 1624 7473 3478 6938 11285 -3398 39617 -12376 -2202 -6456 -774 -3651 -2785 -4116 -2652 1675 -5747 10647 -8970 5675 3689 3342 -1538 2773 2788 -3992 -2677 896 -3673 -1036 -1953 -1676 -717 961 1588 -61 3324 -1390 4218 1766 3716 521 493 -2439 959 887 -651 1453 1964 504 -893 -615 -1261 737 1154 -197 280 -40 817 -1754 1125 -2068 1238 -259 -2485 -1584 -1323 -1658 168 -257 223 838 516 487 -558 1377 185 226 -232 1479 1285 27 361 -166 -1637 626 -976 -1448 -2028 -1613 -324 -200 0 955 1578 605 -93 -516 -1084 190 421 133 654 -1495 334 -509 258 -79 1022 1323 1282 894 -749 43 -466 352 -15 -10 -623 217 584 2 -313 10 285 -319 -616 416 362 -2141 402 -1993 -47 -205 953 -514 666 -527 -659 -1124 508 -319 516 126 587 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