File name: Pandora206s1_BuffaloNY_20240913_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T091645.9Z 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_20240913_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: 20240913 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 20240913T115945.4Z 9022.499832 64 1 47.30 2 78.70 95.82 159.58 313.78 0.00 1 0.00 1 0 17 4.189e-01 2.296e-02 2.920e-01 1.096e-02 6.071131e-01 5.958064e-03 7.219707e-03 -6.000000e+00 2.407998e-01 229.17 -2.00 3.55 -2.00 321.09 0.00e+00 1.679283e-02 2.670457e-03 4.513490e-04 -6.000000e+00 1.152797e-02 285.51 -2.00 20.00 -2.00 320.46 0.00e+00 4.930 0.002 302.00 328.00 3 4.6231e+00 1.9940e-02 6.0322e-02 -6.0000e+00 6.0077e-01 3.3865e-01 2.5594e-02 4.2386e-02 -6.0000e+00 6.5270e-01 -4.7592e-01 2.2734e-02 2.2102e-02 -6.0000e+00 3.8649e-01 1.9594e-01 1.1071e-02 2.1097e-02 -6.0000e+00 1.6550e-01 2.0431e-05 -7.6608e-04 3.0951e-04 1.9720e-04 -6.0000e+00 1.1184e-02 -4.2100e-02 3.1797e-04 12 8 8 10 0 0 -10.79 18.35 1.42 -0.04210 -0.04786 14 4 2 8 0 3378.400 14.99 18.35 24.38 21.27 21.38 24.1 969.60 -208122 900000 -114915 70224 900000 900000 24333 900000 -32899 -54700 900000 -59568 -114128 45706 900000 -35898 900000 65715 114106 -1147 170616 -4068 28569 24794 27580 -68484 9076 -6184 -37198 236102 1770 34818 23478 120960 15822 28329 21995 50353 51132 26773 30388 -1238 18014 -9115 22128 6376 19734 -17903 22550 10044 21793 14899 -7929 -1784 6389 17643 5397 10147 4624 -2881 -9507 18444 -310 7556 2072 7366 1814 3483 5333 -1158 7306 3460 6376 3992 9843 -4360 15883 -5936 3179 -4673 -1926 4540 -4564 -6047 -4828 5071 1254 12 -2429 920 -1499 -404 298 -1317 -3299 -3784 271 -2647 -343 1236 -912 -572 1366 -3086 2500 382 -659 351 -992 -2186 -370 -714 -3217 -1168 -707 1773 -900 1341 549 903 981 569 678 2211 2278 -574 1665 629 1779 -886 2075 517 1391 -896 850 228 -746 580 -22 -353 313 -2105 -998 -12315 900000 -3567 749 900000 900000 260 900000 -351 -743 900000 -867 -3653 488 900000 -1149 900000 1052 1218 -40 1821 -143 701 635 677 -4385 271 -211 -1707 2519 72 1226 1077 2323 827 1209 1056 2042 2401 1886 2302 -136 1730 -1206 2196 769 2148 -2923 2551 1340 2814 2289 -1650 -375 1295 3219 1123 1992 928 -615 -2242 3621 -84 2153 672 2201 554 1052 1673 -446 2892 1492 2660 1614 3445 -1568 4271 -1963 1052 -1999 -943 2388 -2908 -4104 -3442 3512 950 9 -2004 716 -1112 -274 190 -850 -2394 -3210 233 -2726 -385 1384 -987 -561 1291 -2990 2487 375 -687 389 -1211 -3009 -558 -1154 -5365 -1842 -1047 2423 -1264 1928 849 1471 1605 900 1039 3222 3164 -793 2156 837 2630 -1516 3792 1027 2863 -1982 1816 519 -1753 1370 -54 -817 742 -4820 -2161 SS 20240913T120612.8Z 9022.504315 67 1 45.22 2 77.53 96.95 160.35 317.03 0.00 1 0.00 1 0 17 4.151e-01 1.144e-02 2.948e-01 7.054e-03 5.749523e-01 3.711827e-03 6.552276e-03 -6.000000e+00 2.346085e-01 229.17 -2.00 3.55 -2.00 320.96 0.00e+00 4.028568e-03 1.626108e-03 6.348765e-04 -6.000000e+00 1.091771e-02 285.51 -2.00 20.00 -2.00 320.34 0.00e+00 4.500 0.002 302.00 328.00 3 4.3652e+00 1.2255e-02 5.4083e-02 -6.0000e+00 5.8497e-01 4.0121e-02 1.6118e-02 3.2646e-02 -6.0000e+00 6.3424e-01 -1.2443e-01 1.5452e-02 1.6324e-02 -6.0000e+00 3.7769e-01 4.4762e-02 7.5542e-03 7.9936e-03 -6.0000e+00 1.6192e-01 4.5344e-05 1.7064e-04 1.9814e-04 6.7901e-05 -6.0000e+00 1.0680e-02 -4.2640e-02 2.7790e-04 12 8 8 10 0 0 8.83 18.35 0.92 -0.04264 -0.04136 24 7 4 8 0 1883.970 15.00 18.35 24.74 21.27 21.38 24.1 972.60 -190374 -36416 -115934 124113 -65997 16057 3713 83827 67294 -88914 900000 -52319 -2139 -95259 30008 -57516 325960 -1021 30735 -46845 44790 19808 5529 41630 -16961 -49196 -5574 24205 -33525 54524 -44169 3418 -16297 19210 -7138 -4248 -7005 3399 34145 -938 14531 -3172 1943 -11773 8929 -3647 5245 -15816 6083 598 6465 6194 -2201 332 -825 8433 -1049 9199 -1640 561 -1495 4942 2737 4528 1747 1020 738 -875 3061 -1652 4578 249 2897 -894 5501 -2493 3562 -2512 2304 -1521 -1889 2455 -3178 -917 -2263 2210 -316 -160 -1542 1656 -1006 536 -75 745 -623 -1943 1035 -363 559 -1061 997 -465 599 -1840 588 -1375 -236 -643 -880 -563 422 123 -1617 49 -91 836 -673 150 -720 812 -652 212 516 316 1085 191 1015 712 1229 -6 641 -8 722 -383 69 56 -433 142 67 532 -182 -995 -555 -4166 -250 -1595 854 -495 110 26 577 463 -1167 900000 -576 -18 -2323 289 -1622 2242 -20 486 -1708 678 381 125 716 -560 -2368 -180 566 -1337 937 -2400 136 -919 846 -393 -216 -400 203 1832 -87 1319 -369 227 -1636 1019 -484 649 -2469 791 86 965 1039 -437 70 -188 1810 -256 2037 -394 129 -360 1217 779 1436 608 345 243 -296 1068 -701 2050 112 1395 -426 2270 -996 1227 -905 861 -699 -1018 1452 -1999 -594 -1590 1599 -247 -130 -1278 1292 -749 365 -54 526 -445 -1622 966 -396 667 -1292 1123 -484 557 -1741 593 -1499 -267 -782 -1160 -821 676 191 -2572 80 -140 1209 -988 228 -1179 1384 -1134 354 833 493 1603 276 1388 993 1912 -10 1127 -16 1409 -794 152 132 -1047 350 166 1265 -413 -2155 -1151 SS 20240913T121134.8Z 9022.508042 69 1 45.61 2 76.56 97.90 160.96 319.90 0.00 1 0.00 1 0 17 3.358e-01 9.984e-03 2.176e-01 4.978e-03 5.534033e-01 2.597058e-03 6.371794e-03 -6.000000e+00 1.897798e-01 229.17 -2.00 3.55 -2.00 320.74 0.00e+00 4.708322e-04 1.057507e-03 3.546673e-04 -6.000000e+00 8.477265e-03 285.51 -2.00 20.00 -2.00 320.07 0.00e+00 4.197 0.001 302.00 328.00 3 4.0808e+00 8.1905e-03 5.0564e-02 -6.0000e+00 4.7296e-01 1.3954e-02 1.0639e-02 2.9857e-02 -6.0000e+00 5.1265e-01 -8.8448e-02 9.9679e-03 1.5143e-02 -6.0000e+00 3.0575e-01 2.9601e-02 4.9448e-03 4.6143e-03 -6.0000e+00 1.3146e-01 8.2407e-05 -3.2612e-04 1.3998e-04 4.7862e-05 -6.0000e+00 8.5649e-03 -4.2376e-02 2.5470e-04 12 8 8 10 0 0 7.09 18.35 0.70 -0.04238 -0.04483 37 11 2 8 0 1232.530 15.00 18.35 25.11 21.27 21.38 24.1 975.11 -175020 900000 -69231 179327 -84141 122806 -81859 22603 -62659 -31127 73584 -62321 -46085 -64199 -18952 -37332 123493 -20459 38827 -27413 81165 -21044 3454 -2606 -7956 -29276 -20233 3362 -36102 52763 -26251 15632 -4287 26448 -4591 -663 -10875 12613 9138 82 3327 -4325 5176 -3685 5969 -2525 8297 -10021 5072 -225 6494 681 2944 1927 1149 2716 293 5042 -396 2167 -2799 6086 -596 4720 -1719 6249 -1721 -1499 2783 3053 2678 -1584 -565 -1366 4366 687 5505 -5356 -2093 -698 1484 1330 -3756 -3329 -2420 326 -43 641 11 1350 55 1308 288 973 -201 -652 -14 207 30 -120 399 -937 -200 -1677 -73 -1804 -168 -634 4 -441 729 30 -100 -24 -62 408 -262 631 -403 114 -351 471 -81 573 356 283 100 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