File name: Pandora206s1_BuffaloNY_20240930_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T195909.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20240930_L1_smca1c6d20240814p1-8.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: 20240930 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]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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 20240930T122256.4Z 9039.515930 122 1 27.38 2 78.08 105.83 55.44 114.37 0.00 1 0.00 1 0 33 5.486e-01 1.023e-01 3.910e-01 8.828e-02 4.500730e-01 4.848115e-02 7.242200e-03 -6.000000e+00 3.299751e-01 227.20 -2.00 3.55 -2.00 320.05 0.00e+00 1.072787e-02 1.370208e-02 8.030999e-03 -6.000000e+00 1.811223e-02 283.43 -2.00 20.00 -2.00 319.36 0.00e+00 4.691 0.002 302.00 328.00 3 5.9780e+00 1.4232e-01 6.9292e-02 -6.0000e+00 8.3888e-01 4.8479e-01 1.6819e-01 7.3533e-02 -6.0000e+00 9.2625e-01 -5.4351e-01 1.1936e-01 1.4169e-02 -6.0000e+00 5.3087e-01 2.6393e-01 6.0445e-02 1.5471e-02 -6.0000e+00 2.2227e-01 7.0786e-06 -3.5474e-03 2.7442e-03 6.7842e-05 -6.0000e+00 1.5609e-02 -1.2819e-02 0.0000e+00 12 8 8 10 0 0 22.07 18.23 13.81 -0.01282 -0.03948 17 17 1 8 0 1610.280 15.00 18.23 23.38 21.27 20.87 24.1 962.06 -57772 900000 -7604 900000 -68956 900000 900000 900000 900000 900000 900000 900000 31446 323414 900000 900000 900000 900000 900000 9251 900000 48044 900000 900000 900000 -70798 172928 224695 -95203 900000 118649 241498 900000 900000 68308 900000 15855 900000 900000 98030 7761 28157 39978 21380 50447 33121 5686 -49897 53675 -4177 95038 20330 18378 -9861 7365 12202 19404 15729 13235 -20452 -1897 35418 -15806 14360 -24554 30398 -4780 37056 -7657 1559 4379 9016 -1408 15254 54727 7877 -2749 -33571 43481 -21389 3234 -8799 -4680 -11338 4237 19935 8875 -1516 -8252 10096 -6579 3265 15325 23659 10946 -2507 2498 -8772 1018 7663 31589 4753 9482 -6913 5737 -2570 3706 574 -4956 -12318 5120 -9798 -12731 -9548 -4798 9514 904 8689 -6507 5814 3279 6107 1833 7418 6138 68 -1614 3543 4481 1391 4910 9252 4604 -6388 7614 -1283 -7051 6989 1603 -8424 8190 -6861 851 -5875 900000 -651 900000 -7935 900000 900000 900000 900000 900000 900000 900000 2693 27697 900000 900000 900000 900000 900000 1022 900000 4115 900000 900000 900000 -15647 14810 19243 -24197 900000 10161 20682 900000 900000 5850 900000 1920 900000 900000 8395 1639 5064 6848 4394 8045 6358 1396 -21224 8401 -1133 10755 5103 4993 -3631 2376 3892 5787 4831 4026 -8232 -667 9204 -7355 5683 -14720 10413 -2101 10834 -3595 755 2238 4633 -808 7343 16485 3396 -1185 -18737 12102 -12696 1738 -6028 -3386 -8868 3103 13423 7050 -1342 -7939 8199 -5887 2429 9368 12786 7111 -2110 2280 -9891 1156 8576 26400 4772 8205 -6860 5439 -2830 4006 680 -6615 -19243 7364 -16698 -22278 -15987 -7141 11435 1164 10725 -9955 8395 4978 8801 2679 9901 7867 89 -2040 4335 5704 2017 7423 14153 7601 -12167 13378 -2610 -15576 13622 3342 -18831 14681 -13575 1537 SS 20240930T135503.5Z 9039.579902 177 1 24.01 2 62.86 124.21 42.40 138.80 0.00 1 0.00 1 0 17 2.169e-01 3.072e-02 1.761e-01 2.214e-02 2.707479e-01 1.101015e-02 3.365422e-03 -6.000000e+00 1.216631e-01 227.19 -2.00 3.55 -2.00 318.14 0.00e+00 8.829980e-04 1.993573e-03 9.724108e-04 -6.000000e+00 5.387758e-03 283.43 -2.00 20.00 -2.00 317.39 0.00e+00 2.180 0.000 302.00 328.00 3 7.3193e+00 2.9608e-02 2.5782e-02 -6.0000e+00 3.0200e-01 7.8172e-02 3.3692e-02 1.5385e-02 -6.0000e+00 3.2794e-01 5.0299e-02 2.2225e-02 6.9612e-03 -6.0000e+00 1.9552e-01 -2.6395e-02 1.1578e-02 2.3234e-03 -6.0000e+00 8.3795e-02 2.8418e-05 -8.2312e-04 6.2293e-04 2.2822e-05 -6.0000e+00 5.5244e-03 -1.1216e-02 0.0000e+00 12 8 8 10 0 0 77.93 18.22 1.96 -0.01122 -0.01740 6 6 2 8 0 4000.000 15.00 18.22 24.55 21.27 20.87 24.2 969.40 -37463 55540 10746 59795 115983 56453 53485 90343 6741 118173 48593 50418 -17564 27710 -2973 -6382 50663 10633 3240 18887 32203 -689 20295 22473 10555 -27246 10972 920 -2229 11571 -12421 1039 1032 -785 10438 2886 -566 6727 19415 -1015 -1808 1534 -939 -3262 -5130 -468 -6866 -13104 -4672 -369 5215 2738 -3807 -2944 -1288 1800 -1989 -2389 5615 -5564 -8772 7713 -2763 3525 -1704 -2545 361 -6673 3306 1506 3104 4535 1413 1433 4206 1023 14534 -3179 -297 -4211 -3417 5372 -3435 -1692 -2329 3357 2070 2310 2628 -185 -235 362 2791 -2153 1376 -5014 2999 -2727 2398 1315 3632 -301 -2459 -3655 3366 483 1046 1988 -3106 -1557 1647 -579 -4305 349 -1279 3071 -2617 -277 -102 516 2366 -6226 80 1286 4128 -1943 1633 161 1329 -1306 986 -1268 1048 -2695 1189 759 -1178 2869 1010 976 1047 -3027 -310 -3457 2437 754 2583 2588 2045 2087 2796 526 3403 2708 2740 -2039 2452 -399 -1008 4941 1557 536 2779 4419 -126 3027 3488 1945 -7649 2155 191 -452 1975 -2775 227 245 -204 2283 637 -139 1767 5383 -401 -804 692 -450 -1631 -2600 -227 -3517 -6960 -2239 -173 2427 1412 -2145 -1742 -781 1075 -1262 -1527 3340 -3647 -6050 4819 -2025 2627 -1370 -1971 250 -4760 2197 1159 2623 3853 1250 1265 3390 765 8778 -2068 -191 -3171 -2885 4618 -3484 -1751 -2505 3679 2425 2799 3216 -226 -274 383 2627 -2008 1289 -5529 3391 -3534 3191 1757 4602 -366 -2813 -4257 4007 627 1408 2783 -4637 -2433 2654 -978 -7318 546 -1861 3955 -3510 -376 -148 797 3701 -10466 124 1885 5542 -2645 2092 206 1794 -1879 1465 -1995 1634 -4485 2021 1371 -2225 5320 1937 1823 1878 -5452 -526 SS 20240930T141257.7Z 9039.592334 188 1 4.75 2 60.22 128.32 40.46 144.72 0.00 1 0.00 1 0 17 9.910e-03 5.594e-03 3.676e-03 1.300e-03 2.461846e-01 6.452897e-04 3.021955e-03 -6.000000e+00 5.557779e-03 227.19 -2.00 3.55 -2.00 317.12 0.00e+00 2.259657e-04 8.893078e-05 6.875747e-05 -6.000000e+00 2.461274e-04 283.42 -2.00 20.00 -2.00 316.36 0.00e+00 2.005 0.000 302.00 328.00 3 1.5925e+00 1.6963e-03 2.3409e-02 -6.0000e+00 1.3796e-02 -2.2032e-02 1.9084e-03 1.2849e-02 -6.0000e+00 1.4982e-02 -2.9289e-03 1.1398e-03 6.3259e-03 -6.0000e+00 8.9318e-03 -2.5275e-04 5.5865e-04 1.7859e-03 -6.0000e+00 3.8276e-03 1.1616e-02 -2.6375e-04 3.5769e-05 1.9430e-05 -6.0000e+00 2.5239e-04 -1.0586e-02 0.0000e+00 12 1 1 12 1 1 99.55 18.22 0.25 -0.01059 -0.01257 49 155 2 8 0 91.190 15.00 18.22 25.10 21.27 20.87 24.3 973.03 -1528 -1854 -1567 -2525 -3376 -2374 -3190 -1168 -991 -451 -3962 -2313 -991 -1053 207 65 121 548 587 961 1125 -168 1242 610 224 712 81 -669 -1138 98 1221 1100 2270 347 -1859 -1543 -2160 -1552 -610 -75 -651 -554 -654 -638 -156 -483 -208 -191 -470 -14 384 598 1112 992 711 1044 652 756 580 361 897 1130 1232 1738 598 81 -438 -780 455 247 368 286 -78 192 142 173 -41 -587 -113 -547 -1151 -1043 -1855 -1632 -1075 -810 -381 -423 230 101 240 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