File name: Pandora206s1_BuffaloNY_20240820_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240821T052508.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240820_L1_smca1c1d20220512p1-8.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: 20240820 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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 20240820T111038.9Z 8998.465728 191 1 28.00 2 83.13 79.72 89.92 253.68 0.00 1 0.00 1 0 25 8.751e-01 1.722e-01 5.329e-01 1.082e-01 9.428929e-01 7.377360e-02 1.337555e-02 -6.000000e+00 5.707052e-01 231.33 -2.00 3.55 -2.00 321.73 0.00e+00 -1.451778e-02 2.053252e-02 1.743883e-02 -6.000000e+00 3.973798e-02 287.49 -2.00 20.00 -2.00 320.95 0.00e+00 7.638 0.008 302.00 328.00 3 2.3419e+00 2.3094e-01 1.2929e-01 -6.0000e+00 1.4656e+00 2.2445e+00 2.7744e-01 1.3337e-01 -6.0000e+00 1.6318e+00 -2.0762e+00 1.7374e-01 6.2077e-02 -6.0000e+00 9.2861e-01 6.3363e-01 8.7523e-02 1.1450e-02 -6.0000e+00 3.9036e-01 5.8816e-06 -7.3552e-03 3.4357e-03 4.2254e-04 -6.0000e+00 2.9034e-02 8.7419e-03 -9.8839e-04 12 9 8 11 4 0 99.96 16.95 1.28 0.00874 -0.04653 7 7 3 8 0 4000.000 15.00 16.95 21.44 19.85 19.64 23.3 948.46 10687 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 165337 900000 900000 900000 900000 191660 900000 900000 900000 900000 900000 900000 900000 -60603 37395 164513 900000 900000 900000 900000 900000 900000 900000 900000 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11856 30099 -28309 1590 14110 39367 9572 900000 9045 -4174 -16116 900000 5320 10472 1901 10223 7394 900000 900000 5137 13110 13656 19573 22173 900000 12356 900000 10483 900000 5365 -43507 12412 3474 7090 12587 19326 16352 19332 -17896 13207 -4244 16142 15690 14111 11680 -6097 19788 2543 6098 3223 23403 10335 21010 -8609 24613 1218 16909 17441 -5684 3361 -7632 286 -55874 6079 -3443 25935 -973 6439 -26374 10688 8615 -8079 7374 -9296 13351 -10048 38688 -19527 25004 -2275 19847 -4488 18018 -15255 15445 10409 -23882 10699 -4905 6640 7484 -15227 2169 SS 20240820T113253.5Z 8998.481175 201 1 45.89 2 79.11 83.43 93.64 257.41 0.00 1 0.00 1 0 25 5.359e-01 8.755e-03 5.745e-02 1.702e-03 6.912443e-01 9.089705e-04 7.824822e-03 -6.000000e+00 3.044561e-01 231.33 -2.00 3.55 -2.00 321.33 0.00e+00 2.162711e-03 4.550933e-04 1.299700e-03 -6.000000e+00 1.352880e-02 287.49 -2.00 20.00 -2.00 320.72 0.00e+00 5.097 0.002 302.00 328.00 3 5.8478e-01 3.1752e-03 6.2529e-02 -6.0000e+00 7.6213e-01 1.1522e-01 4.4406e-03 3.8249e-02 -6.0000e+00 8.2542e-01 -1.7801e-01 4.3850e-03 2.0186e-02 -6.0000e+00 4.9160e-01 6.6741e-02 2.0696e-03 6.4814e-03 -6.0000e+00 2.0888e-01 9.7865e-04 -3.8552e-04 4.5840e-05 7.4552e-05 -6.0000e+00 1.3669e-02 1.6335e-03 -1.1661e-04 11 9 0 11 4 0 99.90 16.96 0.38 0.00163 -0.00126 429 133 4 8 0 106.960 15.00 16.96 21.44 19.85 19.64 23.3 948.34 -193761 -190539 -166500 -175160 -152170 -178847 -178935 -184223 -156566 -130012 -140984 -119341 -143049 -104879 -88630 -56672 -38157 -30297 -43466 -50825 -35866 -33086 -32643 -24627 -30972 -29519 -41123 -36942 -27693 -26387 -16303 -23807 -6188 2500 -9176 -12999 -12844 -3020 -4904 4565 2939 6345 3626 -124 4165 4545 4863 4300 -499 4566 4143 7350 5953 7825 5419 4166 4735 3325 4238 1980 2908 3482 3835 5706 4435 2993 2698 640 2689 2113 3434 2337 1192 1497 293 705 -1103 -903 -1079 -1888 -1502 -943 -1453 -1664 -1584 -737 44 -35 526 536 442 -575 -167 -586 -134 -694 -159 131 -84 -228 -557 -644 -1289 -638 -1501 -1188 -636 -653 -592 -78 346 269 350 262 -20 153 -70 120 21 85 43 118 560 453 692 382 283 936 505 216 357 208 -99 -198 -184 -165 -52 258 -85 -115 -58 -264 -361 -1901 -2157 -1797 -2035 -1263 -1900 -2079 -2569 -1897 -1338 -1685 -1288 -2517 -1637 -1501 -856 -545 -448 -801 -1072 -673 -599 -618 -478 -694 -696 -1126 -938 -621 -631 -430 -814 -210 86 -335 -481 -529 -133 -274 283 211 474 295 -11 350 391 427 394 -51 472 484 941 849 1205 915 743 873 621 758 354 530 696 874 1462 1113 814 732 183 755 698 1246 898 459 542 98 230 -341 -282 -380 -732 -682 -492 -840 -1018 -1039 -514 32 -26 393 386 295 -362 -101 -367 -94 -572 -151 144 -101 -276 -633 -660 -1197 -591 -1528 -1270 -714 -789 -783 -106 524 434 566 410 -30 217 -100 179 33 141 70 186 849 661 1053 564 402 1380 783 380 691 432 -217 -424 -424 -401 -128 649 -214 -277 -130 -608 -802 SS 20240820T114235.5Z 8998.487911 206 1 0.97 2 77.35 85.05 95.29 259.01 0.00 1 0.00 1 0 25 3.728e-01 1.296e-02 2.689e-01 9.317e-03 6.101873e-01 4.892422e-03 7.025064e-03 -6.000000e+00 2.116765e-01 231.33 -2.00 3.55 -2.00 320.82 0.00e+00 3.394758e-03 2.106778e-03 7.029357e-04 -6.000000e+00 9.491053e-03 287.49 -2.00 20.00 -2.00 320.15 0.00e+00 4.439 0.002 302.00 328.00 3 9.5268e-01 1.5944e-02 5.4872e-02 -6.0000e+00 5.2988e-01 8.8604e-02 2.0848e-02 3.4195e-02 -6.0000e+00 5.7398e-01 -1.3427e-01 1.9269e-02 1.6627e-02 -6.0000e+00 3.4207e-01 4.7829e-02 9.4243e-03 6.7164e-03 -6.0000e+00 1.4604e-01 1.3459e-03 -5.1988e-04 2.5247e-04 5.9465e-05 -6.0000e+00 9.5149e-03 3.3521e-03 -1.9302e-04 12 9 9 12 5 1 -169.67 16.97 0.20 0.00335 -0.00055 6 103 2 8 0 137.970 15.00 16.97 21.83 19.85 19.64 23.4 951.60 -195164 900000 -153310 -30909 -136839 10037 -155067 -77060 -96310 -115025 -49800 -119807 22902 -109491 16715 -45325 50070 -67809 38976 -23525 15308 -34695 -34261 -3974 -19404 -1177 -39513 -10756 -41860 33633 -24377 31117 -9856 37330 -10430 26571 -11470 3327 1714 1758 8237 4850 10948 -98 12021 -1789 12803 -4626 12900 -1599 11885 3168 7561 4869 2633 6105 -75 3123 -342 4886 4000 8403 2916 8687 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