File name: Pandora206s1_BuffaloNY_20231212_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T070406.3Z 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_20231212_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: 20231212 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 20231212T132602.9Z 8746.559755 67 1 28.72 2 83.57 130.13 84.00 136.86 0.00 1 0.00 1 0 25 1.443e+00 1.266e+00 9.359e-01 7.295e-01 -6.918801e-02 4.453672e-01 1.715111e-02 -6.000000e+00 9.826801e-01 222.37 -2.00 3.55 -2.00 315.30 0.00e+00 1.054121e-01 4.086512e-02 9.691871e-03 -6.000000e+00 8.237197e-02 274.71 -2.00 20.00 -2.00 315.14 0.00e+00 8.092 0.010 302.00 328.00 3 6.5003e+00 1.0713e+00 9.3920e-02 -6.0000e+00 2.5107e+00 1.2173e+00 1.2383e+00 1.0694e-01 -6.0000e+00 2.8904e+00 -6.3556e-01 7.4653e-01 3.2657e-02 -6.0000e+00 1.6123e+00 -5.0161e-01 3.4504e-01 6.4152e-02 -6.0000e+00 6.5462e-01 9.6710e-08 -2.2512e-01 1.3247e-02 8.9497e-04 -6.0000e+00 5.3703e-02 -8.0293e-04 3.5026e-04 12 12 12 10 0 0 -13.43 17.80 -29.67 -0.00080 -1.69243 18 18 1 8 0 1595.500 14.99 17.80 7.16 21.38 21.17 18.8 921.61 900000 900000 900000 900000 79083 900000 -160583 900000 -156231 900000 900000 900000 900000 900000 225350 900000 900000 900000 900000 900000 900000 -55057 900000 900000 900000 900000 900000 900000 152014 900000 900000 900000 900000 900000 900000 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900000 900000 900000 167963 900000 900000 900000 211446 124418 -289031 900000 185675 900000 900000 900000 900000 900000 97552 900000 900000 900000 59860 83630 900000 68861 900000 -38194 900000 108264 94645 900000 900000 900000 44465 -26021 167909 900000 -476994 900000 900000 900000 202910 124634 900000 900000 85348 63540 128369 103625 145262 90738 900000 78189 900000 900000 900000 76932 67475 167623 144385 -18817 66107 155626 42721 113371 56180 129462 -38390 203892 24849 88047 -120152 113933 -110093 -268789 -141590 4136 92788 75128 80048 4134 90826 22997 64407 107498 900000 103272 97430 -36093 81675 85144 -93235 900000 18608 5205 -123371 54528 -44521 -6575 14795 52738 16961 82825 -1398 65334 SS 20231212T134029.9Z 8746.569790 70 1 45.57 2 81.59 132.82 82.32 139.50 0.00 1 0.00 1 0 17 5.840e-01 1.339e-02 4.339e-01 9.424e-03 8.852361e-01 5.196303e-03 9.515232e-03 -6.000000e+00 3.246406e-01 222.37 -2.00 3.55 -2.00 322.11 0.00e+00 3.677435e-03 2.967342e-03 4.063574e-03 -6.000000e+00 1.473839e-02 274.71 -2.00 20.00 -2.00 321.70 0.00e+00 6.441 0.005 302.00 328.00 3 2.4684e+00 1.9595e-02 8.3530e-02 -6.0000e+00 8.0150e-01 3.5521e-01 3.1543e-02 6.2918e-02 -6.0000e+00 8.7951e-01 -5.5430e-01 3.6206e-02 2.9254e-02 -6.0000e+00 5.2124e-01 2.2188e-01 1.6311e-02 1.0746e-02 -6.0000e+00 2.2102e-01 3.6804e-05 -4.0101e-04 2.4667e-04 1.2130e-04 -6.0000e+00 1.5647e-02 -7.7925e-03 1.9338e-04 12 8 8 10 0 0 94.33 17.80 0.50 -0.00779 -0.01081 51 16 2 8 0 893.420 15.00 17.80 7.37 21.38 21.17 18.9 924.73 -262594 -166997 -66902 -1460 -208474 -85977 -170519 -137886 -207733 -199178 900000 40687 -67653 -176338 900000 900000 -91814 -186881 -124307 27995 -18542 -107927 -3215 -18135 -21957 -57161 -55158 -117855 -60644 -33443 -28756 -47882 24288 -12035 900000 -20794 -15081 900000 47083 6097 91116 -11547 40992 19340 43643 -395 29383 -43931 26255 40326 15346 17762 26554 29918 16323 19464 11485 23249 1178 533 -7571 11652 8178 12550 5043 9061 -6535 5248 10557 5347 12311 5881 6877 6346 1371 -1738 -2376 5243 418 531 -1154 3735 -3307 471 -2883 2968 1630 2330 1221 2658 1526 -2155 -1659 -1578 -510 -1625 987 -1446 -209 663 323 -2260 -1596 -1467 -1656 -3110 -1999 -387 -579 -529 -174 406 -1417 -15 -532 1150 -1755 283 -92 578 324 198 436 448 1447 1274 825 532 1090 262 1414 170 -463 -676 -43 212 -147 294 311 490 -441 -564 -1207 -2411 -1533 -614 -13 -1914 -789 -1566 -1266 -1907 -1829 900000 374 -621 -2355 900000 900000 -996 -5927 -2283 257 -170 -1712 -30 -167 -202 -716 -691 -2656 -759 -399 -384 -959 312 -243 900000 -420 -318 900000 778 185 1339 -463 1129 675 1202 -17 998 -3007 1061 1555 874 1023 1552 1873 1253 1511 997 1766 106 47 -739 1050 894 1540 720 1233 -1069 810 1736 1085 2569 1355 1527 1308 265 -308 -405 875 86 135 -355 1281 -1350 196 -1326 1367 793 1151 608 1247 671 -935 -713 -730 -273 -1052 738 -1301 -204 640 292 -1852 -1152 -1060 -1298 -2596 -1755 -366 -618 -654 -245 617 -2235 -23 -782 1609 -2577 428 -148 942 510 294 623 619 1912 1643 1042 729 1755 491 2700 357 -1043 -1636 -113 575 -405 817 855 1260 -1058 -1258 -2612 SS 20231212T134735.0Z 8746.574711 74 1 45.58 2 80.66 134.16 81.53 140.81 0.00 1 0.00 1 0 25 6.154e-01 1.355e-02 3.029e-01 6.238e-03 8.210257e-01 3.348029e-03 8.924346e-03 -6.000000e+00 3.372985e-01 222.37 -2.00 3.55 -2.00 321.89 0.00e+00 3.571208e-03 1.796363e-03 1.676077e-03 -6.000000e+00 1.527778e-02 274.71 -2.00 20.00 -2.00 321.46 0.00e+00 5.862 0.004 302.00 328.00 3 2.3968e+00 1.2081e-02 7.2955e-02 -6.0000e+00 8.3059e-01 3.0327e-01 1.8274e-02 4.8704e-02 -6.0000e+00 9.0818e-01 -4.8842e-01 2.0349e-02 2.5463e-02 -6.0000e+00 5.4051e-01 1.9395e-01 9.4065e-03 9.5084e-03 -6.0000e+00 2.3122e-01 7.1680e-05 -5.6106e-04 1.6374e-04 1.1007e-04 -6.0000e+00 1.5670e-02 -7.6538e-03 1.6938e-04 12 8 8 10 0 0 87.10 17.81 0.39 -0.00765 -0.01187 74 23 4 8 0 615.830 15.00 17.81 7.84 21.38 21.27 19.0 927.56 -227498 -173334 -128456 17970 -229668 -38023 -264599 -215295 -188650 -99292 -231078 900000 -153784 -159588 -94464 36546 -136262 -14913 23749 -110708 48668 -60181 -66567 -81189 -13193 -107274 -28331 -5009 -105920 4273 -3485 -56471 -20775 7292 -6936 -4356 -6590 24697 -1059 16578 74 23227 14894 14318 21380 20195 19608 -17601 24796 11668 23026 14342 19761 20167 20413 11371 13411 12987 10461 3595 8504 13675 508 14392 6936 6619 6154 9052 -576 6423 6990 2503 6798 1392 6693 1485 -1422 -3893 471 38 -2734 400 -481 -3452 -1518 710 -333 732 692 1608 -1087 640 -852 -907 -1602 -373 -1280 -47 -187 15 -1447 -457 -2316 -1758 -1177 -2246 -1483 -620 -644 -875 1044 -93 -313 -261 -420 -208 -237 -14 -143 496 -228 114 1076 1685 757 1046 949 748 522 783 267 -232 80 -163 -60 -77 371 -8 387 -15 82 -862 -1219 -2390 -1246 -781 109 -2667 -231 -4535 -2500 -1877 -604 -3961 900000 -2058 -2735 -1207 222 -3390 -136 159 -2693 296 -952 -1174 -1827 -160 -3523 -431 -58 -3285 49 -55 -1855 -569 164 -169 -101 -172 556 -38 605 4 961 707 697 975 958 966 -1327 1312 766 1540 1186 1707 1913 2061 1307 1558 1493 1177 420 972 1655 82 2337 1299 1224 1164 1751 -125 1513 1805 700 1778 356 1604 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