File name: Pandora206s1_BuffaloNY_20240913_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T195753.2Z 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_20240913_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: 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]: 305.0348 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 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 4.185e-01 2.288e-02 2.920e-01 1.096e-02 6.075610e-01 5.959592e-03 7.197577e-03 -6.000000e+00 2.406044e-01 229.17 -2.00 3.55 -2.00 321.10 0.00e+00 1.682435e-02 2.670999e-03 8.954093e-04 -6.000000e+00 1.152690e-02 285.51 -2.00 20.00 -2.00 320.47 0.00e+00 4.930 0.002 302.00 328.00 3 4.0142e+00 1.9947e-02 6.1303e-02 -6.0000e+00 6.0028e-01 3.3955e-01 2.5603e-02 4.5191e-02 -6.0000e+00 6.5245e-01 -4.7758e-01 2.2748e-02 2.1244e-02 -6.0000e+00 3.8619e-01 1.9689e-01 1.1079e-02 2.1160e-02 -6.0000e+00 1.6512e-01 3.7532e-05 -1.7658e-03 3.0935e-04 1.8927e-04 -6.0000e+00 1.1161e-02 -5.6894e-03 0.0000e+00 12 8 8 10 0 0 -10.79 18.35 1.42 -0.00569 -0.01896 14 4 2 8 0 3378.400 14.99 18.35 24.38 21.27 21.38 24.1 969.60 -207327 900000 -114588 70196 900000 900000 24401 900000 -32785 -54690 900000 -59204 -113438 46370 900000 -35468 900000 65955 114265 -1035 170612 -4170 28558 24759 27497 -68522 9006 -6306 -37228 236286 2139 35080 23714 120975 15596 28282 22113 50520 51345 26934 30420 -1249 18022 -9156 22086 7237 19686 -17927 22528 10051 21875 14954 -7904 -1767 6336 17564 5318 10017 4491 -2969 -9521 18485 -247 7604 2012 7235 1737 3437 5376 -1081 7309 3415 6274 3850 9671 -4537 15748 -5665 3231 -4594 -1656 4582 -4566 -6068 -4833 5058 1225 105 -2486 836 -1598 -497 226 -1342 -3279 -3752 305 -2520 -337 1212 -950 -619 1322 -3101 2490 460 -678 423 -1003 -2190 -374 -658 -3220 -1106 -703 1780 -894 1344 549 902 982 570 675 2211 2278 -575 1667 600 1734 -918 2049 506 1385 -910 829 217 -747 570 -15 -323 337 -2084 -1007 -12269 900000 -3557 749 900000 900000 260 900000 -350 -743 900000 -862 -3632 495 900000 -1135 900000 1056 1219 -36 1821 -147 701 634 675 -4387 269 -215 -1708 2522 87 1235 1088 2324 816 1207 1062 2049 2411 1897 2305 -137 1731 -1212 2192 865 2143 -2927 2548 1341 2825 2298 -1645 -372 1285 3205 1107 1967 901 -634 -2245 3630 -67 2167 653 2162 530 1038 1687 -417 2894 1472 2618 1557 3385 -1632 4235 -1868 1069 -1966 -809 2410 -2909 -4118 -3445 3503 928 84 -2051 651 -1185 -337 144 -866 -2379 -3183 262 -2594 -378 1357 -1028 -606 1250 -3005 2476 451 -706 468 -1224 -3015 -564 -1063 -5369 -1743 -1040 2433 -1256 1932 848 1469 1607 902 1035 3221 3164 -794 2159 798 2564 -1572 3746 1005 2851 -2013 1771 493 -1756 1347 -36 -749 798 -4773 -2180 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 4.149e-01 1.142e-02 2.948e-01 7.055e-03 5.752076e-01 3.712130e-03 6.592900e-03 -6.000000e+00 2.343364e-01 229.17 -2.00 3.55 -2.00 320.97 0.00e+00 4.066933e-03 1.626688e-03 9.964823e-04 -6.000000e+00 1.091431e-02 285.51 -2.00 20.00 -2.00 320.34 0.00e+00 4.500 0.002 302.00 328.00 3 3.7566e+00 1.2258e-02 5.4401e-02 -6.0000e+00 5.8424e-01 4.0764e-02 1.6123e-02 3.3603e-02 -6.0000e+00 6.3362e-01 -1.2597e-01 1.5463e-02 1.6076e-02 -6.0000e+00 3.7735e-01 4.5739e-02 7.5610e-03 7.9296e-03 -6.0000e+00 1.6167e-01 8.3299e-05 -6.0429e-04 1.9828e-04 6.4259e-05 -6.0000e+00 1.0681e-02 -6.7604e-03 0.0000e+00 12 8 8 10 0 0 8.83 18.35 0.92 -0.00676 -0.01130 24 7 4 8 0 1883.970 15.00 18.35 24.74 21.27 21.38 24.1 972.60 -189611 -35878 -115542 124248 -65967 16314 4085 84221 67648 -88700 900000 -51959 -1584 -94735 30531 -57110 326250 -735 30958 -46646 44906 19861 5701 41795 -16867 -49119 -5583 24105 -33561 54706 -43871 3660 -16056 19280 -7255 -4210 -6834 3623 34399 -753 14599 -3153 1953 -11809 8898 -3659 5212 -15823 6087 632 6557 6265 -2156 374 -835 8404 -1095 9107 -1746 482 -1511 4984 2790 4567 1695 918 683 -900 3310 -1423 4585 212 2818 -1004 5529 -2637 3465 -2558 2344 -1461 -1847 2487 -3179 -930 -2265 2198 -339 -117 -1589 1588 -1084 469 -134 726 -610 -1848 1057 -341 560 -1082 1021 -504 567 -1849 642 -1391 -248 -603 -840 -524 418 118 -1621 84 -50 837 -672 148 -724 808 -652 212 513 315 1083 190 1061 685 1189 -37 615 -25 707 -407 64 60 -424 144 61 541 -153 -993 -549 -4150 -247 -1589 855 -495 112 28 579 465 -1165 900000 -572 -13 -2310 294 -1611 2244 -15 490 -1701 680 383 129 719 -557 -2365 -180 564 -1339 941 -2384 146 -906 849 -399 -214 -390 217 1846 -70 1326 -366 228 -1641 1016 -486 645 -2471 791 91 979 1051 -429 79 -190 1804 -267 2017 -419 111 -364 1227 794 1448 590 311 225 -305 1152 -603 2053 95 1357 -479 2278 -1054 1194 -922 876 -671 -996 1471 -2000 -602 -1592 1590 -265 -94 -1318 1239 -807 319 -95 512 -436 -1541 986 -372 668 -1319 1150 -525 527 -1751 647 -1516 -281 -733 -1107 -763 670 184 -2579 139 -77 1212 -988 226 -1186 1377 -1135 353 828 492 1601 273 1450 955 1851 -66 1081 -47 1380 -845 142 140 -1026 353 150 1287 -346 -2152 -1140 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 3.355e-01 9.940e-03 2.176e-01 4.976e-03 5.536330e-01 2.598449e-03 6.403515e-03 -6.000000e+00 1.894735e-01 229.17 -2.00 3.55 -2.00 320.75 0.00e+00 4.124151e-04 1.058015e-03 4.868013e-04 -6.000000e+00 8.465853e-03 285.51 -2.00 20.00 -2.00 320.08 0.00e+00 4.197 0.001 302.00 328.00 3 3.4726e+00 8.1956e-03 5.0618e-02 -6.0000e+00 4.7219e-01 1.3640e-02 1.0653e-02 3.0004e-02 -6.0000e+00 5.1194e-01 -8.8721e-02 9.9730e-03 1.5119e-02 -6.0000e+00 3.0533e-01 2.9934e-02 4.9450e-03 4.5264e-03 -6.0000e+00 1.3119e-01 1.5139e-04 -9.7706e-04 1.3962e-04 4.7624e-05 -6.0000e+00 8.5557e-03 -6.7374e-03 0.0000e+00 12 8 8 10 0 0 7.09 18.35 0.70 -0.00674 -0.01408 37 11 2 8 0 1232.530 15.00 18.35 25.11 21.27 21.38 24.1 975.11 -174643 900000 -69184 179153 -84390 122800 -81698 22846 -62403 -30948 73676 -62042 -45673 -63850 -18625 -37116 123601 -20355 38881 -27370 81151 -21096 3542 -2459 -7826 -29139 -20172 3319 -36125 52898 -26038 15791 -4126 26468 -4728 -658 -10733 12823 9405 311 3067 -4229 4897 -3664 5980 -2510 8282 -10019 5084 -182 6593 769 3016 2006 1199 2765 350 5061 -396 2178 -2746 6173 -642 4668 -1718 6204 -1851 -1467 2888 3177 2658 -1628 -642 -1471 4329 531 5498 -5440 -1991 -679 1498 1347 -3690 -3270 -2348 336 -40 636 -7 1309 2 1261 248 968 -173 -614 26 249 19 -118 391 -953 -255 -1663 -94 -1788 -150 -648 -3 -411 734 37 -91 -16 -55 442 -260 632 -402 118 -344 477 -78 577 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