File name: Pandora206s1_BuffaloNY_20231110_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T065405.2Z 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_20231110_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: 20231110 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 20231110T132326.6Z 8714.557947 143 1 40.61 2 77.85 127.84 52.87 151.10 0.00 1 0.00 1 0 17 1.821e-01 5.529e-03 1.667e-01 3.870e-03 5.437339e-01 1.972006e-03 6.260169e-03 -6.000000e+00 1.001282e-01 223.17 -2.00 3.55 -2.00 320.72 0.00e+00 1.303159e-03 8.006752e-04 6.319306e-04 -6.000000e+00 4.423425e-03 278.38 -2.00 20.00 -2.00 320.16 0.00e+00 4.613 0.002 302.00 328.00 3 3.2158e+00 6.1693e-03 5.3110e-02 -6.0000e+00 2.4668e-01 1.3583e-02 7.9599e-03 2.9138e-02 -6.0000e+00 2.6935e-01 -2.2722e-02 7.8558e-03 1.4663e-02 -6.0000e+00 1.6057e-01 -2.2184e-03 3.9157e-03 4.8646e-03 -6.0000e+00 6.8702e-02 1.3573e-04 -4.2394e-04 1.0833e-04 5.0781e-05 -6.0000e+00 4.6361e-03 -1.2068e-02 9.2507e-05 10 0 0 10 0 0 99.92 17.89 0.39 -0.01207 -0.01525 50 17 2 8 0 812.110 14.99 17.89 13.41 21.48 21.27 19.0 936.66 -82984 -25206 -33404 -54453 -77158 -57910 -48573 -66136 -67719 -42837 69759 32512 6258 -21257 36379 -29218 13396 -4808 -18805 -19024 -10003 -6851 -8966 -6823 -10556 -158 -7882 1501 -21674 1164 -6808 -3121 2034 -3646 -7578 -11962 -7218 -2910 3497 -2155 4385 3380 7871 1462 4315 98 -975 -1877 1050 4205 -465 1666 -1758 1819 -630 -1705 -336 -1808 -117 -3072 880 1841 538 4017 -272 1711 -87 1117 1175 -282 1276 994 1927 1833 1974 -284 -969 -885 -1882 -858 -1484 -764 -2130 -950 -1139 789 -300 42 696 1282 230 270 -129 -178 147 -245 416 555 403 -96 156 -676 -114 -228 -966 -1258 -870 -288 -601 134 364 463 -412 -150 7 140 76 366 -465 -31 -271 -245 504 299 354 72 546 635 591 76 457 -141 -161 -164 -88 -1 92 219 72 -336 -41 -270 -101 -740 -162 -252 -493 -786 -481 -403 -749 -894 -485 263 196 61 -345 412 -761 253 -120 -582 -625 -310 -204 -288 -237 -410 -6 -327 54 -949 43 -321 -165 118 -242 -492 -799 -515 -235 298 -235 504 419 983 199 576 14 -142 -282 159 648 -83 326 -387 421 -158 -448 -90 -491 -30 -807 230 525 176 1422 -104 612 -31 401 461 -131 643 524 996 899 885 -116 -371 -338 -804 -429 -866 -504 -1550 -718 -929 676 -272 36 647 1136 190 208 -95 -133 122 -234 415 633 497 -117 178 -701 -117 -240 -1028 -1410 -1024 -360 -818 200 598 733 -649 -243 11 201 111 557 -762 -53 -461 -404 800 457 517 102 736 891 934 133 803 -263 -312 -337 -194 -3 215 527 173 -776 -90 -561 -204 SS 20231110T132948.7Z 8714.562370 145 1 45.87 2 76.94 129.09 52.36 152.95 0.00 1 0.00 1 0 17 1.471e-01 4.974e-03 6.574e-02 2.197e-03 5.111071e-01 1.114465e-03 5.957740e-03 -6.000000e+00 8.095205e-02 223.17 -2.00 3.55 -2.00 320.55 0.00e+00 1.743245e-03 4.304264e-04 4.500715e-04 -6.000000e+00 3.575325e-03 278.38 -2.00 20.00 -2.00 319.99 0.00e+00 4.314 0.001 302.00 328.00 3 2.4482e+00 3.4055e-03 4.9627e-02 -6.0000e+00 1.9943e-01 -1.0100e-02 4.3121e-03 2.6938e-02 -6.0000e+00 2.1774e-01 -7.0851e-03 4.1095e-03 1.4016e-02 -6.0000e+00 1.2981e-01 -5.7269e-03 2.0732e-03 4.7181e-03 -6.0000e+00 5.5552e-02 4.0216e-04 -2.2753e-04 6.1916e-05 5.1543e-05 -6.0000e+00 3.7469e-03 -1.2634e-02 1.3738e-04 10 0 0 10 0 0 99.90 17.90 0.29 -0.01263 -0.01434 187 58 4 8 0 245.260 15.00 17.90 13.61 21.48 21.27 19.0 938.07 -52270 -2280 -40271 -41135 -64079 -43022 -40979 -44025 -67350 -38504 -50840 -56969 -19045 -13233 -9232 -17818 -10896 -12261 -6753 -4979 -4351 -3814 -10723 -720 -6556 94 -4703 -5753 -9734 -1540 -5309 267 2434 -3418 -8675 -7211 -8066 -5345 -359 -1369 1536 -372 -261 -108 2760 1544 295 -1832 683 100 1744 1839 1597 2042 955 1768 813 1331 948 -365 572 1312 743 2910 510 1262 837 -61 592 720 1197 928 905 923 141 -551 -760 -1509 -935 -1042 -952 -1073 -2013 -1255 -1132 -614 -85 -142 577 878 684 571 104 289 152 47 533 878 348 -194 -161 -786 -688 -646 -1007 -1030 -665 -494 -284 310 466 387 -40 147 -104 257 -133 316 -71 2 -249 54 272 116 486 279 134 599 371 290 160 19 -292 -111 -85 -255 -6 234 -132 -76 32 -54 -146 -493 -15 -423 -423 -741 -396 -404 -509 -1126 -528 -806 -1050 -298 -244 -202 -504 -317 -397 -223 -171 -153 -132 -418 -28 -289 4 -223 -264 -444 -68 -285 16 161 -259 -649 -522 -658 -500 -39 -167 204 -54 -40 -17 419 242 47 -306 114 18 335 391 369 511 255 484 232 377 262 -101 162 406 261 1117 207 483 313 -23 245 346 632 513 496 480 68 -238 -305 -605 -411 -541 -570 -730 -1502 -977 -947 -548 -79 -137 552 805 579 450 78 218 128 45 582 1000 430 -237 -184 -893 -716 -690 -1179 -1268 -788 -624 -386 464 760 657 -67 234 -155 362 -191 472 -114 4 -419 88 430 175 701 389 178 827 575 497 297 36 -594 -219 -180 -569 -13 542 -306 -170 68 -110 -310 SS 20231110T134124.9Z 8714.570427 151 1 4.31 2 75.33 131.40 51.51 156.39 0.00 1 0.00 1 0 25 1.626e-01 9.876e-03 1.324e-01 6.921e-03 4.663080e-01 3.439223e-03 5.474037e-03 -6.000000e+00 8.944641e-02 223.17 -2.00 3.55 -2.00 319.98 0.00e+00 -8.556932e-04 1.099345e-03 2.396533e-04 -6.000000e+00 3.950416e-03 278.38 -2.00 20.00 -2.00 319.38 0.00e+00 3.868 0.001 302.00 328.00 3 3.0357e+00 9.9589e-03 4.4574e-02 -6.0000e+00 2.2036e-01 -2.4403e-03 1.2059e-02 2.4150e-02 -6.0000e+00 2.4059e-01 -2.3281e-02 1.0456e-02 1.2186e-02 -6.0000e+00 1.4343e-01 2.1177e-03 5.4285e-03 3.6347e-03 -6.0000e+00 6.1384e-02 3.5748e-04 -1.2714e-04 1.9356e-04 3.9599e-05 -6.0000e+00 4.1400e-03 -1.3391e-02 1.1742e-04 12 9 9 12 1 1 91.34 17.90 0.44 -0.01339 -0.01435 7 50 4 8 0 537.210 15.00 17.90 13.87 21.48 21.27 18.9 938.45 13552 -52450 4338 -57432 -47844 -49599 -139338 3936 -35424 -877 -43488 7716 -28713 -2843 -19579 7932 -1721 665 -7231 -2926 6029 -66 6379 -2849 9271 -6688 -2380 -13058 5975 -12048 7027 -5247 5126 -1404 4931 -8611 -1627 270 1005 3483 -556 5202 -1809 1873 -1975 1011 -3020 -1490 1649 2175 2032 1691 1578 1286 2481 2169 3474 101 1796 175 1669 658 1831 2786 1440 336 -561 782 945 1911 -3 1505 -1273 1313 466 -720 -1510 574 -785 -415 -606 198 -1828 -2898 -1558 -3392 233 -538 810 293 543 92 781 -472 1037 364 2054 416 281 -1051 1108 -759 -918 -222 -1776 -883 -274 -512 -317 -336 214 -667 638 333 259 -253 125 -185 -388 244 -318 438 1092 242 638 190 526 1290 9 764 548 395 -626 116 -402 107 -271 227 -208 -220 -225 -283 -189 129 -1042 55 -1300 -874 -906 -6479 53 -816 -16 -1209 138 -889 -82 -808 290 -75 31 -385 -157 304 -3 334 -181 563 -507 -177 -1021 363 -904 497 -475 476 -149 458 -899 -177 34 155 597 -111 1038 -405 410 -450 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