File name: Pandora206s1_BuffaloNY_20240407_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T075134.6Z 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_20240407_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: 20240407 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 20240407T111427.1Z 8863.468370 42 1 44.69 2 85.65 84.33 80.62 101.72 0.00 1 0.00 1 0 25 8.901e-01 1.173e-01 5.590e-01 8.066e-02 1.335573e+00 4.912060e-02 1.573802e-02 -6.000000e+00 5.196020e-01 227.69 -2.00 3.55 -2.00 321.70 0.00e+00 -3.068955e-02 1.276933e-02 6.526814e-04 -6.000000e+00 2.464090e-02 277.10 -2.00 20.00 -2.00 320.98 0.00e+00 10.863 0.024 302.00 328.00 3 -2.5680e-01 1.4231e-01 1.2967e-01 -6.0000e+00 1.2921e+00 3.6067e+00 1.6982e-01 7.8802e-02 -6.0000e+00 1.4102e+00 -3.0572e+00 1.0597e-01 3.3876e-02 -6.0000e+00 8.3834e-01 8.7337e-01 6.0522e-02 2.1959e-02 -6.0000e+00 3.5680e-01 2.1713e-06 2.9287e-03 1.8318e-03 2.4599e-04 -6.0000e+00 2.4509e-02 -6.5021e-03 2.3136e-04 12 8 8 10 0 0 -42.26 17.69 2.39 -0.00650 0.01551 16 5 2 8 0 2792.650 15.00 17.69 9.41 21.27 21.17 20.6 975.91 194614 244096 900000 900000 37049 900000 12409 138621 -61143 900000 247717 104003 102217 86090 135178 100230 900000 65650 199798 5200 900000 -101 329606 98387 106982 105238 229632 900000 1527 111523 -16794 900000 -58626 317567 121451 -48444 -33097 242624 900000 39305 21475 43001 900000 -13794 900000 -43662 -32717 -105758 900000 10420 121964 20954 171157 26162 900000 60211 35435 119869 45452 65445 -40126 900000 -58787 164130 148856 86284 -35286 61729 51250 9934 127471 21821 194665 14327 90856 -28825 161713 113826 36624 4596 52454 55195 895 23287 40585 95342 20732 13382 -8758 24898 -22855 -17412 -987 34395 19948 40035 31280 26570 -3253 10604 7743 -17829 44876 -7716 34281 -33854 23214 -3728 7594 -4553 -1491 3509 -19624 128 1309 23835 -7410 6504 -9155 8013 4907 -5882 -2037 9778 7467 -5809 6318 -1485 8425 -912 8171 2287 1094 -7471 593 -4601 4668 -2206 4004 1178 4847 -7534 3159 15266 19148 900000 900000 4602 900000 2028 10874 -25980 900000 19432 8838 9355 9567 10604 10483 900000 9012 15673 1054 900000 -16 25856 8420 9155 9006 18013 900000 196 8748 -2994 900000 -18813 24911 9527 -10364 -6373 19032 900000 6166 4288 6746 900000 -2951 900000 -9652 -6066 -40726 900000 1412 9567 3138 13426 4291 900000 7729 5812 9403 5186 5134 -8298 900000 -17188 12875 11677 6768 -9814 7043 7309 2409 10999 4824 15270 2922 7127 -6331 12685 8929 5171 1082 9052 10824 330 7124 10824 14958 6830 4619 -3573 6641 -8964 -6283 -318 8904 7198 14132 14232 14798 -2628 7237 4920 -12447 14433 -4177 12908 -26025 10744 -2515 5361 -4393 -1649 4101 -30325 164 1612 22998 -9998 7959 -13502 9742 5659 -6922 -2205 9128 6971 -6061 5848 -1725 11037 -1574 14934 4969 2652 -21685 1725 -14653 13621 -6941 11434 3159 11293 -18026 6617 SS 20240407T113119.7Z 8863.480089 48 1 45.84 2 82.57 87.18 77.65 104.58 0.00 1 0.00 1 0 17 5.953e-01 1.690e-02 2.822e-01 7.236e-03 1.091077e+00 4.163659e-03 1.161795e-02 -6.000000e+00 3.326624e-01 227.69 -2.00 3.55 -2.00 322.51 0.00e+00 3.723689e-05 2.513324e-03 8.224102e-03 -6.000000e+00 1.438580e-02 277.10 -2.00 20.00 -2.00 322.09 0.00e+00 7.167 0.007 302.00 328.00 3 6.9971e-01 1.6879e-02 1.0633e-01 -6.0000e+00 8.2832e-01 1.0654e+00 2.5202e-02 9.3305e-02 -6.0000e+00 9.0201e-01 -1.4380e+00 2.5872e-02 4.2089e-02 -6.0000e+00 5.3549e-01 5.6904e-01 1.1644e-02 1.1520e-02 -6.0000e+00 2.2640e-01 7.6371e-05 -1.0538e-03 1.7541e-04 1.7560e-04 -6.0000e+00 1.5181e-02 -4.1597e-03 1.2219e-04 12 8 8 10 0 0 -1.41 17.70 0.52 -0.00416 -0.01208 138 43 2 8 0 332.150 15.00 17.70 10.02 21.27 21.17 20.5 979.98 -191374 -145820 -120170 -164603 -187847 -190551 -200522 -189893 -209374 -84203 -140414 -186253 -99477 -79274 -81142 -90108 -31647 -70724 -44089 -71446 69410 -37698 -58428 -64799 -44746 -71473 -49011 -61487 -126086 -75665 -28989 -25976 -46825 10308 -12742 -568 68897 29856 9141 35923 -9548 37719 21055 1577 35832 16934 -2339 -1576 57642 26922 44810 35201 21653 57788 37834 38034 36709 29836 16782 18823 3194 17242 21779 28936 19830 16594 20479 17896 20431 19758 22044 15694 18351 10936 4357 -759 -340 4843 -581 3345 4913 4053 2173 2429 2771 3555 4562 -531 559 3640 1248 529 -224 -2439 -25 -1526 -571 -1771 -1035 -2178 -1386 -2651 -2733 -2496 -3454 -2953 -2837 -1837 -2110 -1900 -1124 -984 -1447 -178 -1454 -371 -614 -358 -164 807 965 1323 2234 1872 2465 2223 1708 1625 36 621 660 403 -16 -109 63 105 355 525 36 61 -273 -1035 -1730 -3315 -1777 -1156 -2217 -2651 -2567 -3087 -2802 -4029 -594 -1441 -3465 -1021 -864 -1145 -1676 -365 -1316 -650 -1375 490 -505 -900 -1164 -758 -1614 -865 -1128 -4182 -1709 -532 -568 -1487 196 -279 -10 681 506 232 836 -391 1011 683 61 961 550 -94 -67 1464 1026 1644 1615 1253 2569 2189 2281 2279 1916 1137 1169 232 1204 1706 2491 2029 1756 2182 2109 2653 3011 3593 2791 3043 1767 658 -106 -45 663 -101 696 1213 1193 727 857 1036 1390 1825 -206 233 1400 455 187 -81 -1000 -12 -821 -365 -1363 -877 -1867 -1096 -1861 -1676 -1665 -2276 -2029 -2078 -1474 -1950 -2080 -1430 -1380 -2119 -257 -2065 -509 -865 -528 -254 1251 1416 1801 2889 2349 2985 2639 2002 2105 58 1163 1408 953 -42 -304 174 300 1021 1523 103 177 -722 -2518 -4044 SS 20240407T114309.2Z 8863.488301 51 1 46.43 2 80.41 89.18 75.59 106.63 0.00 1 0.00 1 0 17 7.709e-01 1.298e-02 1.570e-01 2.621e-03 8.991324e-01 1.431588e-03 9.689816e-03 -6.000000e+00 4.308577e-01 227.69 -2.00 3.55 -2.00 321.96 0.00e+00 5.901220e-03 7.873193e-04 1.466534e-03 -6.000000e+00 1.862980e-02 277.10 -2.00 20.00 -2.00 321.51 0.00e+00 5.726 0.004 302.00 328.00 3 7.3649e-01 5.1873e-03 7.5913e-02 -6.0000e+00 1.0728e+00 3.6940e-01 8.2291e-03 5.5013e-02 -6.0000e+00 1.1682e+00 -5.1505e-01 9.2081e-03 2.8393e-02 -6.0000e+00 6.9351e-01 2.0600e-01 4.1662e-03 1.1843e-02 -6.0000e+00 2.9328e-01 3.6180e-04 -5.3050e-04 6.5357e-05 1.2468e-04 -6.0000e+00 1.9656e-02 -5.3338e-03 1.3726e-04 12 8 8 10 0 0 -31.62 17.70 0.30 -0.00533 -0.00932 316 98 2 8 0 145.060 14.99 17.70 10.59 21.27 21.17 20.6 983.56 -219897 -284743 -211344 -183873 -157448 -323426 -146372 -280682 -212019 -243582 -216302 -240658 -179454 -122379 -119673 -55209 -131345 52691 -115416 -27373 -75920 -51087 -92471 -62866 -91828 -61125 -92466 -67327 -39313 -73641 -32698 -25090 -1077 -20505 -5574 -26741 -5970 -22035 10911 -1538 20490 -9938 36733 -1096 19305 17644 7310 15577 9856 16663 16541 21449 586 26320 9117 15598 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