File name: Pandora206s1_BuffaloNY_20240331_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T075028.6Z 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_20240331_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: 20240331 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 20240331T124058.7Z 8856.528457 221 1 26.65 2 72.07 100.94 81.04 215.46 0.00 1 0.00 1 0 17 2.259e-01 6.989e-03 1.793e-01 4.522e-03 6.201474e-01 2.324459e-03 7.064679e-03 -6.000000e+00 1.260359e-01 227.15 -2.00 3.55 -2.00 320.50 0.00e+00 6.848888e-04 8.733731e-04 5.466668e-04 -6.000000e+00 5.489684e-03 276.32 -2.00 20.00 -2.00 319.97 0.00e+00 3.205 0.001 302.00 328.00 3 4.4189e+00 6.9612e-03 4.5549e-02 -6.0000e+00 3.1352e-01 5.0172e-02 8.9483e-03 3.2989e-02 -6.0000e+00 3.4154e-01 -3.5952e-02 9.0240e-03 1.6852e-02 -6.0000e+00 2.0291e-01 5.5098e-03 4.5521e-03 5.2830e-03 -6.0000e+00 8.6382e-02 1.2644e-04 -8.8143e-05 1.1993e-04 5.3458e-05 -6.0000e+00 5.7613e-03 -6.5494e-03 1.4579e-04 11 8 0 10 0 0 99.75 17.72 0.32 -0.00655 -0.00721 20 20 2 8 0 1332.220 15.00 17.72 10.95 21.27 21.17 20.5 986.74 -136302 900000 -95502 -44575 -52644 -62068 -85508 -71417 -61742 -33600 37590 -62884 -22585 -26056 37230 -36585 26355 -25590 4909 -27754 31934 -11556 1360 -6416 -6767 12245 -9265 7463 -33805 10425 -18193 4581 -13534 2196 -7797 -7274 -2995 398 -172 -951 -483 -3044 2655 -3377 5716 -3552 -3472 -8139 2609 1346 3390 2170 108 2670 2067 3106 7190 4174 -5238 1667 -32 3661 -432 3705 386 1350 -216 4 1941 382 2236 -755 -797 174 1156 -1946 -318 -2423 -903 -1339 -688 -725 -2690 -1028 -931 206 -17 111 461 969 456 596 173 -229 89 278 697 671 379 102 91 -815 -225 -955 -243 -1299 -530 -1193 -142 188 489 373 -220 258 -314 553 -470 163 -171 124 -281 -317 47 373 572 153 902 581 638 -10 545 -266 -102 -256 -86 -422 1 165 35 -82 81 174 -470 -1761 900000 -1045 -295 -340 -440 -848 -708 -642 -291 172 -852 -260 -394 389 -895 398 -696 111 -886 598 -333 37 -208 -239 382 -368 240 -1526 338 -910 222 -887 133 -488 -449 -199 30 -16 -111 -63 -435 378 -520 809 -564 -559 -1414 425 236 654 473 25 668 551 852 1959 1163 -1548 451 -9 1105 -154 1431 160 531 -85 1 850 191 1209 -437 -453 92 569 -878 -132 -1035 -427 -731 -433 -505 -2076 -819 -796 180 -16 104 428 881 384 467 135 -178 78 270 753 831 491 131 111 -928 -231 -1012 -278 -1524 -649 -1531 -196 281 781 624 -365 418 -480 822 -693 249 -279 205 -469 -508 72 565 825 213 1233 837 1010 -17 991 -502 -201 -517 -182 -935 3 374 78 -175 167 348 -915 SS 20240331T124640.2Z 8856.532409 224 1 2.33 2 71.05 101.98 81.63 216.53 0.00 1 0.00 1 0 17 1.923e-01 8.915e-03 2.648e-01 8.595e-03 5.821199e-01 4.371211e-03 6.671694e-03 -6.000000e+00 1.072927e-01 227.15 -2.00 3.55 -2.00 320.21 0.00e+00 2.924743e-03 1.512381e-03 4.656492e-04 -6.000000e+00 4.654493e-03 276.32 -2.00 20.00 -2.00 319.67 0.00e+00 3.043 0.000 302.00 328.00 3 3.3507e+00 1.2774e-02 4.2981e-02 -6.0000e+00 2.6688e-01 9.8496e-03 1.5969e-02 3.1040e-02 -6.0000e+00 2.9083e-01 -1.4124e-02 1.5477e-02 1.5778e-02 -6.0000e+00 1.7265e-01 -3.2780e-03 7.9384e-03 6.1382e-03 -6.0000e+00 7.3593e-02 4.5361e-04 -3.0939e-04 2.2757e-04 5.2955e-05 -6.0000e+00 4.9347e-03 -2.9470e-03 2.9528e-04 12 9 1 12 1 1 -9.76 17.72 0.31 -0.00295 -0.00527 3 48 4 8 0 562.820 14.99 17.72 11.20 21.27 21.17 20.6 989.35 900000 -61836 53002 13787 -58236 -132968 2988 -50084 72981 -76616 -35437 -21194 -55637 2764 -4431 10259 -16500 1950 -13987 21745 -32486 -96 2456 8375 -14656 5760 2934 -7049 465 -9557 1271 -11198 11587 -9008 6559 -17272 -1932 -6261 674 -2500 -4231 -4138 -2352 729 -938 353 -404 3806 1857 -351 203 2381 659 2018 2611 -132 2210 1422 697 -1746 3353 -104 724 1765 1725 1197 501 934 1380 584 1534 255 216 756 558 1620 -172 -1069 -1889 -667 -1806 172 -2843 -1747 -2320 24 194 -309 950 -323 1359 167 728 -108 634 11 20 1228 291 -198 -786 -88 -805 641 -1482 -73 -727 28 -584 454 -139 567 -257 188 -175 51 -12 -299 539 -457 581 687 917 -2657 895 279 756 624 447 533 -717 304 -194 -111 -1006 497 782 69 -120 933 -1240 -488 63 900000 -612 444 116 -532 -2533 25 -540 612 -1284 -424 -245 -1102 41 -84 203 -478 52 -474 547 -1448 -3 80 284 -670 228 123 -314 19 -455 65 -759 728 -752 440 -1447 -155 -620 77 -355 -687 -684 -404 124 -172 65 -77 712 368 -72 46 589 180 593 806 -43 730 471 225 -569 1075 -38 298 775 787 524 217 410 662 328 902 158 132 451 304 777 -81 -513 -978 -404 -1232 131 -2329 -1485 -2129 22 186 -307 930 -307 1213 141 603 -92 575 11 23 1500 387 -259 -1000 -100 -869 698 -1729 -88 -927 37 -832 688 -225 951 -428 297 -268 74 -18 -462 850 -759 942 1106 1428 -4106 1317 397 1028 888 695 889 -1273 564 -365 -220 -2092 1064 1648 150 -259 1950 -2500 -952 122 SS 20240331T142901.0Z 8856.603484 283 1 24.01 2 53.79 123.36 94.52 234.05 0.00 1 0.00 1 0 25 2.623e-01 1.532e-02 2.045e-01 1.432e-02 3.579752e-01 7.085903e-03 4.271555e-03 -6.000000e+00 1.464264e-01 227.15 -2.00 3.55 -2.00 318.75 0.00e+00 1.151438e-03 1.523665e-03 3.426648e-04 -6.000000e+00 6.320349e-03 276.33 -2.00 20.00 -2.00 318.14 0.00e+00 1.688 0.000 302.00 328.00 3 7.7876e+00 1.9336e-02 2.5203e-02 -6.0000e+00 3.6425e-01 6.0864e-02 2.2198e-02 1.8844e-02 -6.0000e+00 3.9672e-01 4.9711e-02 1.6197e-02 9.2693e-03 -6.0000e+00 2.3551e-01 -3.5796e-02 8.6322e-03 2.9406e-03 -6.0000e+00 9.9736e-02 2.4334e-05 -5.8050e-05 3.9918e-04 2.7935e-05 -6.0000e+00 6.6856e-03 -1.2433e-02 8.5905e-05 12 8 8 10 0 0 61.47 17.71 0.77 -0.01243 -0.01287 6 6 2 8 0 4000.000 15.00 17.71 13.00 21.27 21.17 20.9 1002.53 -50607 22428 31876 184854 35291 107172 41487 126524 -23660 28697 24549 126108 20180 45711 5431 16371 29762 5100 2786 -13632 32105 3709 34500 -2588 8 4545 8992 -2829 -12893 10137 -2665 -299 -5056 -936 -2942 2858 2430 1206 3683 -701 -5735 -3325 1864 -1506 2943 -3948 -4232 -7750 3799 -2727 -1321 -1606 -1450 96 4452 -299 1017 -843 985 -2194 -1348 1913 -4531 2782 -326 2847 -3692 2536 1800 -569 2070 681 3974 3581 1297 -1782 344 -1486 -2623 -1627 -307 -192 -2894 -1131 -636 128 2667 293 2299 107 -776 503 -316 -1396 -1536 846 664 582 -156 584 1295 -94 -1120 -1294 121 -3727 461 706 1194 -733 1266 1883 -1668 -1444 -831 -1336 -1365 -243 119 -116 166 -874 600 721 717 897 -679 867 502 -633 901 257 -321 -313 1008 -204 -337 -139 1566 668 175 -1928 -503 -2894 718 977 2582 904 1497 1043 1767 -1363 1086 962 2005 1018 2122 431 1329 2248 523 309 -1863 2937 431 3140 -356 1 645 1236 -412 -1942 1270 -407 -49 -973 -182 -538 497 471 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