File name: Pandora206s1_BuffaloNY_20231221_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240123T214800.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231221_L1_smca1c1d20220512p1-8.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: 20231221 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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 20231221T153047.7Z 8755.646385 182 1 26.15 2 70.50 155.13 116.12 47.03 0.00 1 0.00 1 0 17 6.996e-02 7.261e-03 7.357e-02 4.998e-03 4.325744e-01 2.450053e-03 5.121428e-03 -6.000000e+00 3.836449e-02 222.54 -2.00 3.55 -2.00 319.38 0.00e+00 1.032447e-04 6.403707e-04 3.002469e-04 -6.000000e+00 1.669119e-03 273.98 -2.00 20.00 -2.00 318.83 0.00e+00 2.962 0.000 302.00 328.00 3 4.8966e+00 6.7773e-03 3.6287e-02 -6.0000e+00 9.4523e-02 3.3374e-02 7.9600e-03 2.2142e-02 -6.0000e+00 1.0334e-01 1.1051e-02 6.5223e-03 1.1202e-02 -6.0000e+00 6.1480e-02 -1.3943e-02 3.4775e-03 3.3187e-03 -6.0000e+00 2.6232e-02 1.2797e-04 -8.1130e-05 1.3785e-04 3.4394e-05 -6.0000e+00 1.7813e-03 1.7099e-02 -7.2153e-05 11 8 0 10 0 0 99.95 17.87 0.57 0.01710 0.01649 11 11 2 8 0 2376.420 15.00 17.87 6.10 21.38 21.27 18.8 921.61 -34688 9094 4214 23217 -19373 11217 -27409 13030 -34377 28909 -10355 -3136 1795 -2402 -728 -9166 1886 3117 1604 -14494 9566 -10986 11055 3432 41 -3464 -16601 6013 -2952 4968 -988 6120 -3411 1437 -4045 1694 -3521 63 2147 -1049 1363 316 735 -1529 2044 3315 -1465 -5983 268 -1373 2461 -1393 703 1547 -626 1723 1908 369 -1790 185 107 2271 1131 2385 -1494 615 -685 453 1136 779 1741 278 1279 524 1160 -1950 -369 -1780 -365 -924 -895 -401 -4013 -1730 -703 124 -284 469 1004 352 357 237 72 377 842 -280 674 906 352 -471 329 746 -373 -589 -337 -1357 -558 -126 -558 -128 206 -198 -84 -84 -264 476 -199 0 -235 587 -302 68 108 358 444 29 267 857 543 113 561 -3 -27 72 128 -526 -175 -34 -94 24 33 -225 -156 -856 164 85 381 -431 180 -708 256 -1200 601 -321 -97 63 -103 -37 -584 116 203 113 -1258 669 -934 789 289 4 -354 -1968 555 -280 449 -104 673 -467 198 -548 220 -520 11 431 -261 356 88 212 -458 590 956 -442 -1890 83 -447 815 -526 279 655 -283 783 891 174 -836 83 50 1131 614 1407 -931 350 -379 248 670 532 1254 211 953 374 778 -1202 -212 -1015 -223 -639 -686 -344 -3732 -1645 -692 129 -312 526 1120 378 362 222 65 339 801 -296 798 1146 478 -628 418 879 -411 -672 -407 -1736 -743 -172 -799 -200 336 -333 -137 -132 -385 671 -284 0 -366 956 -483 109 167 541 638 41 360 1185 812 181 930 -6 -47 132 244 -1055 -349 -69 -190 48 64 -417 -290 SS 20231221T155015.4Z 8755.659901 193 1 26.63 2 69.13 159.66 113.47 51.19 0.00 1 0.00 1 0 25 3.703e-02 5.621e-03 3.893e-02 3.724e-03 4.078170e-01 1.817947e-03 4.853398e-03 -6.000000e+00 2.030866e-02 222.54 -2.00 3.55 -2.00 319.09 0.00e+00 1.245899e-03 4.343572e-04 2.671467e-04 -6.000000e+00 8.835128e-04 273.98 -2.00 20.00 -2.00 318.54 0.00e+00 2.780 0.000 302.00 328.00 3 4.6348e+00 4.9607e-03 3.4122e-02 -6.0000e+00 5.0037e-02 3.6121e-02 5.7509e-03 2.0940e-02 -6.0000e+00 5.4704e-02 1.3437e-03 4.4362e-03 1.0513e-02 -6.0000e+00 3.2544e-02 -8.5692e-03 2.3769e-03 3.3754e-03 -6.0000e+00 1.3887e-02 2.0311e-04 -1.1813e-04 1.0231e-04 3.2586e-05 -6.0000e+00 9.4283e-04 1.6769e-02 -6.5868e-05 10 0 0 10 0 0 98.22 17.86 0.47 0.01677 0.01588 14 14 2 8 0 1901.690 15.00 17.86 6.22 21.38 21.27 18.8 922.26 -6799 -1645 5094 -24667 -9923 -17311 -7271 -4161 -12977 3577 1739 4118 -6733 -7709 -11671 725 -2933 3472 -367 364 -1984 324 3384 9996 -4792 -4125 -235 -2648 -1991 -1550 1348 -445 414 -1773 -1550 -1753 -2064 348 -534 -1088 575 -1121 -333 460 -1082 122 -1536 -3370 -685 22 407 1626 847 1528 1278 427 1402 496 -128 67 1425 1606 1504 1551 82 186 296 -691 972 61 950 519 250 914 575 -158 -1239 -364 -812 -1093 -794 -1126 -2190 -1382 -1366 -314 20 -30 347 918 808 -430 325 194 558 -115 719 561 164 282 128 -812 -347 -27 -611 -907 -547 -371 -141 -213 227 541 -213 -10 -306 97 19 160 -208 152 -373 -316 451 197 583 32 386 1079 630 105 455 -172 89 16 -173 -326 -17 251 -13 76 -49 -347 -544 -180 -47 143 -888 -272 -497 -204 -128 -493 124 61 151 -329 -458 -863 55 -246 292 -34 35 -201 32 332 993 -585 -527 -29 -320 -225 -179 170 -64 67 -308 -249 -276 -363 70 -132 -295 169 -354 -109 151 -362 41 -520 -1159 -231 7 152 654 367 705 617 213 711 252 -64 33 711 872 907 1026 56 117 179 -418 626 42 714 407 195 673 424 -104 -758 -215 -522 -817 -622 -993 -2098 -1372 -1353 -330 22 -34 391 982 857 -425 297 176 552 -120 839 739 216 387 164 -957 -376 -31 -752 -1173 -739 -530 -200 -330 375 857 -351 -15 -439 140 28 227 -318 245 -603 -497 686 287 861 45 521 1486 960 164 753 -297 158 27 -322 -638 -33 509 -26 148 -92 -619 -948 SS 20231221T155502.2Z 8755.663220 195 1 4.15 2 68.83 160.79 112.79 52.18 0.00 1 0.00 1 0 25 4.871e-02 5.571e-03 2.633e-02 2.685e-03 4.058425e-01 1.310572e-03 4.840797e-03 -6.000000e+00 2.670800e-02 222.54 -2.00 3.55 -2.00 318.90 0.00e+00 9.998131e-04 2.957285e-04 1.669025e-04 -6.000000e+00 1.162010e-03 273.98 -2.00 20.00 -2.00 318.34 0.00e+00 2.744 0.000 302.00 328.00 3 2.2399e+00 3.5618e-03 3.3732e-02 -6.0000e+00 6.5804e-02 2.7903e-02 4.1106e-03 2.0645e-02 -6.0000e+00 7.1944e-02 -2.3151e-02 3.0835e-03 1.0445e-02 -6.0000e+00 4.2801e-02 3.2928e-03 1.6526e-03 3.2311e-03 -6.0000e+00 1.8261e-02 2.3440e-03 -1.2410e-04 7.3503e-05 3.2175e-05 -6.0000e+00 1.2401e-03 1.7423e-02 -7.1072e-05 12 1 1 12 1 1 96.39 17.86 0.29 0.01742 0.01649 19 131 4 8 0 206.860 15.00 17.86 6.26 21.38 21.27 18.8 922.64 43765 -8758 -692 -15523 -6424 -13177 -5522 -11964 -9537 -7967 -10857 -4475 -10075 -4012 -6423 1661 -3933 835 -2069 2568 -531 2337 -1364 -944 -1926 -357 -256 -2101 -2291 -3233 1618 -1399 1605 -2049 -1320 -4373 -2132 -1833 -618 -478 -489 -774 -961 -38 -611 730 -226 -560 -1415 397 1444 1133 496 1352 865 758 758 498 566 482 1128 1109 1826 1898 780 356 464 -577 374 280 430 720 417 578 132 87 -401 -1013 -603 -748 -1134 -787 -2095 -1786 -1194 -686 -159 121 594 429 546 47 561 88 653 -94 989 771 57 -167 -468 -830 -1033 139 -934 -863 -876 -413 -94 -46 525 177 160 89 47 267 112 111 -51 -37 -232 -39 401 349 496 151 462 972 565 328 -75 -112 -143 -14 -63 19 45 114 -127 80 -189 -179 -576 859 -298 -23 -565 -188 -401 -185 -439 -386 -341 -478 -196 -556 -250 -489 134 -359 78 -210 260 -57 239 -150 -112 -244 -47 -34 -269 -275 -402 216 -214 269 -375 -222 -742 -393 -394 -160 -147 -167 -277 -360 -14 -231 275 -86 -212 -544 154 602 474 223 647 434 390 400 262 289 243 584 626 1135 1291 543 232 288 -360 250 199 335 582 335 441 101 59 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