File name: Pandora206s1_BuffaloNY_20230116_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T050226.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- 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_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230116_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: 20230116 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 20230116T134445.5Z 8416.572749 182 1 17.99 2 81.48 129.29 63.52 203.45 0.00 1 0.00 1 0 17 4.851e-01 1.987e-02 4.050e-01 1.483e-02 8.031971e-01 8.203608e-03 8.829149e-03 -6.000000e+00 2.703242e-01 223.51 -2.00 3.55 -2.00 321.67 0.00e+00 3.529086e-03 4.023690e-03 1.547188e-03 -6.000000e+00 1.389638e-02 272.41 -2.00 20.00 -2.00 321.24 0.00e+00 6.368 0.005 302.00 328.00 3 2.7928e+00 2.7893e-02 7.5118e-02 -6.0000e+00 6.7300e-01 4.0518e-01 4.0720e-02 4.3829e-02 -6.0000e+00 7.3852e-01 -4.2847e-01 4.5404e-02 2.4644e-02 -6.0000e+00 4.3415e-01 1.6557e-01 2.1376e-02 9.2178e-03 -6.0000e+00 1.8708e-01 2.8411e-05 -6.9736e-04 4.0246e-04 1.1818e-04 -6.0000e+00 1.3008e-02 6.0132e-03 1.6469e-05 12 9 9 12 1 1 99.85 17.61 0.45 0.00601 0.00077 7 9 2 8 0 2227.340 15.01 17.61 -0.68 21.17 20.96 13.3 891.43 -300019 900000 900000 900000 -55425 -96763 21087 900000 900000 -232402 900000 900000 -163170 -65960 44500 -33767 48186 -21701 900000 70854 900000 900000 900000 -86173 -59891 -91464 -28403 161811 35538 48844 -37426 -50596 -52537 114657 62195 -7619 23763 35448 67687 -1837 28086 2264 23472 -18850 58054 -8493 -26999 -11272 -47628 22753 23974 20658 18242 26456 34730 13968 17662 14540 -17624 9374 4525 28753 7221 11606 5928 8046 -8484 7066 12331 33 6344 436 13329 779 10890 -3762 1151 2819 833 1141 2990 4748 -2199 -821 -1481 -892 2458 -1294 -830 1831 264 2241 1797 -714 -5026 -380 241 1035 -3496 414 423 -1730 -2332 -1150 -1198 -7593 -775 1335 -1218 426 1185 581 -1967 -882 -878 1330 -435 457 -251 506 964 1385 1672 -16 2335 117 1013 582 1342 -1422 1276 -51 283 607 -330 -1063 628 -380 1279 172 -72 -1435 -1164 -7329 900000 900000 900000 -800 -1397 304 900000 900000 -4753 900000 900000 -2748 -952 642 -487 696 -313 900000 1023 900000 900000 900000 -2281 -1297 -2861 -478 2336 513 705 -945 -1765 -2212 1655 898 -202 515 810 1510 -91 1149 128 1129 -1406 2025 -593 -2338 -881 -5730 1478 1759 1764 1756 2578 3301 1697 2125 1767 -2820 1116 588 3286 1190 2108 1198 1558 -1980 1487 2774 10 1923 144 3752 229 2594 -923 257 655 231 384 1165 2102 -1140 -442 -860 -546 1514 -844 -534 1090 148 1165 927 -405 -3465 -273 202 998 -3808 425 402 -1487 -1967 -981 -1020 -7209 -730 1341 -1404 555 1723 903 -3148 -1355 -1279 1834 -624 683 -399 816 1490 2020 2352 -22 3024 150 1255 787 2104 -2609 2344 -101 595 1361 -802 -2712 1592 -988 3219 411 -160 -3016 -2373 SS 20230116T140013.1Z 8416.583485 187 1 45.81 2 79.34 132.24 64.76 207.23 0.00 1 0.00 1 0 25 4.214e-01 7.051e-03 8.276e-02 2.024e-03 6.718439e-01 1.048586e-03 7.531526e-03 -6.000000e+00 2.313854e-01 223.51 -2.00 3.55 -2.00 321.16 0.00e+00 2.752598e-03 4.614183e-04 9.708817e-04 -6.000000e+00 9.977713e-03 272.41 -2.00 20.00 -2.00 320.70 0.00e+00 5.205 0.003 302.00 328.00 3 1.3505e+00 3.3466e-03 6.1492e-02 -6.0000e+00 5.7156e-01 1.2240e-01 4.6061e-03 3.5806e-02 -6.0000e+00 6.2519e-01 -1.1497e-01 5.0355e-03 1.9858e-02 -6.0000e+00 3.7138e-01 3.5593e-02 2.4569e-03 7.5105e-03 -6.0000e+00 1.5747e-01 4.2998e-04 -2.3165e-04 5.4376e-05 8.4589e-05 -6.0000e+00 1.0742e-02 6.0306e-03 6.8649e-06 11 8 0 10 0 0 99.14 17.61 0.34 0.00603 0.00429 204 63 2 8 0 224.530 15.00 17.61 0.52 21.17 20.96 13.5 901.39 -159123 -126684 -131057 -114878 -150075 -90120 -164303 -145824 -143015 -99523 -135079 -74883 -106805 -62974 -70012 -73237 -34295 -41183 3849 -32603 4132 -37003 -3722 -26227 -13670 -10977 -32566 -17303 -30515 -19686 -28376 -15289 -7265 -5076 -10388 -9021 -15007 -6731 -5722 434 3807 3345 3778 591 4539 1997 3172 769 7654 1938 4300 2750 4887 3511 4365 1354 3545 1292 300 1743 1173 2797 3459 4801 1522 2198 120 1508 725 1260 1868 1164 1059 289 777 -728 -1683 -2393 -983 -1338 -1201 -731 -1488 -1339 -1261 -621 -18 469 793 949 593 9 -535 -413 -399 132 427 894 260 -166 -478 -1153 -949 -877 -980 -1112 -676 -985 -211 -52 500 380 180 32 -477 31 -91 377 202 249 58 454 390 357 615 162 232 788 254 153 3 -231 -379 -155 -21 -251 220 222 -1 -93 188 -273 -407 -1413 -950 -1112 -793 -1333 -445 -1881 -1583 -1722 -845 -1706 -606 -1560 -770 -1174 -1532 -548 -788 51 -656 59 -789 -61 -595 -294 -245 -919 -403 -801 -521 -1008 -567 -292 -212 -428 -370 -740 -365 -382 33 311 294 349 58 431 200 322 84 820 238 584 424 809 646 841 280 739 271 61 347 246 645 828 1286 436 604 34 437 237 477 767 497 442 113 274 -256 -567 -840 -357 -585 -612 -424 -944 -893 -904 -470 -14 375 629 713 413 6 -345 -280 -309 119 443 974 305 -191 -511 -1207 -906 -866 -1051 -1248 -802 -1159 -271 -75 798 635 300 50 -719 45 -134 583 332 421 96 715 596 523 864 220 306 1112 413 278 5 -454 -781 -339 -50 -616 546 560 -2 -218 416 -572 -834 SS 20230116T140737.2Z 8416.588625 190 1 45.81 2 78.35 133.68 65.40 208.99 0.00 1 0.00 1 0 17 3.231e-01 6.376e-03 6.300e-02 1.648e-03 6.267215e-01 8.425930e-04 7.077750e-03 -6.000000e+00 1.774142e-01 223.51 -2.00 3.55 -2.00 320.91 0.00e+00 2.626884e-03 3.473492e-04 5.792225e-04 -6.000000e+00 7.650083e-03 272.41 -2.00 20.00 -2.00 320.43 0.00e+00 4.796 0.002 302.00 328.00 3 1.4121e+00 2.5986e-03 5.6770e-02 -6.0000e+00 4.3824e-01 9.3720e-02 3.4677e-03 3.3096e-02 -6.0000e+00 4.7935e-01 -7.1097e-02 3.6828e-03 1.7780e-02 -6.0000e+00 2.8474e-01 1.6212e-02 1.8231e-03 6.8387e-03 -6.0000e+00 1.2075e-01 6.1636e-04 -8.3984e-05 4.4308e-05 6.8796e-05 -6.0000e+00 8.2353e-03 5.8796e-03 2.5159e-05 10 0 0 10 0 0 99.92 17.60 0.34 0.00588 0.00525 255 79 2 8 0 179.620 15.00 17.60 1.37 21.17 20.96 13.6 906.80 -110598 -129728 -42027 -117472 -79672 -131227 -103089 -124824 -88732 -105931 -105967 -58904 -65405 -31510 -49312 -7813 -36637 10926 -21799 -3369 -23652 -11127 -24355 -5088 -25149 -14287 -13998 -18685 -15664 -16921 225 -13205 -2704 -10336 -153 -14883 -6565 -6539 -1288 -2621 1358 1303 -1018 1612 1409 4123 -1453 3108 -855 4502 753 4039 1785 3838 2316 2217 2814 2005 2100 1104 3250 1698 4281 2459 2159 -52 -208 -437 1275 818 910 1092 780 876 -766 -161 -2787 -1152 -2023 -404 -1184 -341 -2524 -1357 -1058 -473 343 426 1361 327 1182 -76 -22 -1008 138 -399 416 581 354 -89 -137 -892 -1045 -86 -1215 -679 -1079 -504 -443 298 397 298 -78 32 -257 22 195 27 397 93 199 -51 617 -59 579 -44 341 503 306 188 11 -22 -505 34 -166 -150 36 421 -3 -45 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