File name: Pandora206s1_BuffaloNY_20240517_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240518T051526.5Z 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_20240517_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: 20240517 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 20240517T105855.0Z 8903.457581 129 1 24.01 2 79.08 73.46 124.63 324.83 0.00 1 0.00 1 0 25 4.539e-01 1.020e-01 3.713e-01 7.026e-02 7.077608e-01 4.374112e-02 1.109697e-02 -6.000000e+00 2.824672e-01 231.10 -2.00 3.55 -2.00 321.11 0.00e+00 7.747611e-04 1.968223e-02 1.605610e-02 -6.000000e+00 2.492201e-02 281.62 -2.00 20.00 -2.00 320.58 0.00e+00 5.086 0.002 302.00 328.00 3 5.7238e+00 1.4682e-01 1.0840e-01 -6.0000e+00 7.4545e-01 8.1272e-01 1.8368e-01 1.1842e-01 -6.0000e+00 8.3062e-01 -8.7873e-01 1.6813e-01 2.4391e-02 -6.0000e+00 4.7901e-01 3.9766e-01 8.3757e-02 1.8632e-02 -6.0000e+00 2.1295e-01 3.9893e-06 -3.7103e-03 2.2290e-03 1.4435e-04 -6.0000e+00 1.4770e-02 3.7222e-03 1.8633e-04 12 8 8 10 0 0 -352.14 18.74 9.76 0.00372 -0.02416 6 6 2 8 0 4000.000 14.99 18.74 23.57 22.09 22.09 22.2 1037.10 900000 900000 900000 900000 900000 -39898 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 139650 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 135148 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9147 7923 5361 3213 -7105 7396 -6441 -5449 9261 2224 1921 7714 11858 -2550 12267 -1248 13082 9253 11512 4911 9837 9659 -261 6700 -1095 13705 -8098 -746 3199 12753 4188 2113 -15051 -992 2468 -11234 13215 -9435 5959 -10748 12140 -18706 6252 -1908 19557 9159 6944 -18296 13761 -2967 -2979 13813 -129 -1563 -2491 4413 -36511 -3704 -6911 13849 2301 5306 -7118 -1111 13421 -11584 11210 -7 20303 -6505 8235 -889 14280 -6319 16251 -3070 8902 -534 4021 4901 -16227 1387 -1831 16134 -1331 -10454 -7574 SS 20240517T110529.0Z 8903.462141 132 1 27.32 2 77.93 74.51 125.31 326.56 0.00 1 0.00 1 0 25 3.713e-01 9.414e-03 3.493e-01 7.354e-03 6.954992e-01 3.996906e-03 7.776291e-03 -6.000000e+00 2.135404e-01 231.10 -2.00 3.55 -2.00 321.23 0.00e+00 4.629616e-04 1.917674e-03 1.418685e-03 -6.000000e+00 9.800902e-03 281.62 -2.00 20.00 -2.00 320.69 0.00e+00 4.637 0.002 302.00 328.00 3 3.4957e+00 1.3549e-02 5.9888e-02 -6.0000e+00 5.3782e-01 5.5100e-02 1.9311e-02 4.0246e-02 -6.0000e+00 5.8454e-01 -7.8637e-02 2.0525e-02 2.0167e-02 -6.0000e+00 3.4269e-01 2.2774e-02 9.7117e-03 6.4362e-03 -6.0000e+00 1.4399e-01 8.0415e-05 -3.5165e-04 2.0132e-04 6.6262e-05 -6.0000e+00 9.7475e-03 4.8615e-03 8.2450e-06 12 8 8 10 0 0 61.60 18.74 0.46 0.00486 0.00222 17 17 4 8 0 1606.480 15.00 18.74 23.63 22.09 22.09 22.1 1037.56 -240549 44040 25791 -99770 900000 43560 900000 -29401 900000 900000 -138936 153241 -141491 -25748 -104137 -20724 3174 22626 -17346 38835 900000 51131 40994 24248 -22356 -30963 -19923 -40341 -57461 -27426 9928 3428 -6495 -10294 32518 120056 -5753 -8322 16609 -2791 -6454 4746 2571 -9765 6610 -23927 -14574 -13613 7877 10816 955 2657 6263 1464 418 3396 4242 -76 3078 -3196 -3006 5109 -708 3878 1655 2537 3330 -1013 10228 -687 3045 1784 -135 2327 2901 -518 -927 -6803 -1426 276 -3303 369 -1787 -706 -1778 460 1584 -102 -678 693 236 1473 2919 463 1737 -1731 217 560 -309 538 431 -802 -1735 -847 -1160 -1193 -391 242 -499 -222 98 322 -827 158 -697 855 -471 1 -334 46 274 -593 260 149 1196 404 814 1001 423 -299 304 -50 67 593 -829 197 -447 714 225 -129 68 -362 -730 -2965 316 185 -715 900000 312 900000 -211 900000 900000 -1369 1098 -1987 -184 -1671 -186 26 169 -212 290 900000 366 330 261 -420 -684 -410 -988 -1613 -614 187 83 -206 -375 738 1159 -210 -370 719 -181 -477 353 199 -879 531 -2572 -1462 -1405 722 1033 109 339 849 230 71 589 761 -14 542 -584 -563 971 -163 978 455 672 870 -286 2849 -250 1190 740 -57 898 1014 -167 -279 -2197 -490 112 -1634 195 -1067 -441 -1204 326 1165 -78 -526 511 162 933 1824 293 1225 -1473 202 602 -368 631 475 -806 -1641 -797 -1147 -1241 -425 282 -639 -308 151 510 -1330 252 -1058 1220 -686 1 -540 75 453 -945 397 220 1729 569 1097 1404 658 -510 568 -101 136 1272 -1881 467 -1083 1740 552 -302 154 -773 -1506 SS 20240517T111050.8Z 8903.465866 134 1 26.99 2 76.98 75.36 125.84 328.00 0.00 1 0.00 1 0 17 2.926e-01 6.348e-03 2.941e-01 4.985e-03 6.624442e-01 2.639847e-03 7.384096e-03 -6.000000e+00 1.671076e-01 231.10 -2.00 3.55 -2.00 321.02 0.00e+00 1.730808e-03 1.185948e-03 6.507780e-04 -6.000000e+00 7.231066e-03 281.62 -2.00 20.00 -2.00 320.45 0.00e+00 4.323 0.001 302.00 328.00 3 3.1138e+00 8.6064e-03 5.5774e-02 -6.0000e+00 4.1891e-01 6.9566e-02 1.1839e-02 3.6756e-02 -6.0000e+00 4.5436e-01 -8.8743e-02 1.2333e-02 1.8844e-02 -6.0000e+00 2.6888e-01 2.5287e-02 5.9477e-03 6.5345e-03 -6.0000e+00 1.1327e-01 1.6110e-04 -3.8026e-04 1.3436e-04 6.0404e-05 -6.0000e+00 7.5152e-03 4.2033e-03 -3.2326e-07 10 0 0 10 0 0 97.47 18.74 0.36 0.00420 0.00135 27 27 4 8 0 999.500 15.00 18.74 23.75 22.09 22.09 22.2 1038.49 -103190 -40072 164632 -119308 -54154 -42628 900000 -73780 27998 -83597 -26327 -74174 -49618 155317 -15155 -39876 -3232 4199 -26002 2715 27212 15852 -31574 15785 -18400 -7666 -33208 40663 -41386 6919 4218 2756 14828 983 -10332 -13904 -4152 -10038 11499 -4007 -2145 -17885 3607 -5973 8820 -4014 -4206 -7079 6936 -91 2555 4963 -726 2496 852 3881 1379 3727 -364 387 -2410 1753 1671 1826 618 987 851 -755 1749 -748 1981 220 3535 837 1784 -104 -3516 -1029 -2652 -18 -1273 301 -1979 -849 -1197 568 -348 929 -403 426 542 1006 811 -295 605 -673 208 506 185 -255 511 -874 -88 -1452 44 -1151 -794 -391 -646 293 353 609 -429 194 -717 992 -76 185 -450 -53 -73 -76 43 -22 782 -140 607 689 561 -159 265 -462 114 -152 -221 79 -57 351 67 -364 43 -57 -163 -502 -195 800 -896 -263 -207 900000 -430 136 -691 -128 -649 -434 755 -155 -640 -41 55 -506 42 344 223 -752 261 -465 -186 -1082 613 -1368 151 115 91 512 43 -482 -656 -198 -600 688 -312 -187 -1960 338 -633 815 -433 -465 -832 745 -11 343 735 -125 457 169 780 295 781 -77 79 -522 401 436 542 197 303 259 -241 596 -305 876 104 1598 367 707 -37 -1215 -349 -1021 -8 -677 181 -1343 -601 -911 455 -270 734 -323 356 419 723 559 -210 479 -576 204 571 229 -316 588 -920 -83 -1390 45 -1258 -910 -479 -866 436 541 985 -702 304 -1068 1497 -116 274 -714 -86 -118 -118 65 -35 1165 -204 840 990 918 -273 495 -929 239 -313 -491 184 -137 846 161 -844 93 -125 -347 SS 20240517T111639.9Z 8903.469907 137 1 26.88 2 75.95 76.29 126.39 329.59 0.00 1 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