File name: Pandora206s1_BuffaloNY_20241101_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20241102T050605.4Z 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 v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20241101_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: 20241101 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 20241101T151804.1Z 9071.637548 145 1 24.01 2 62.17 152.28 66.00 153.33 0.00 1 0.00 1 0 17 1.507e-01 2.530e-02 9.492e-02 1.744e-02 2.664017e-01 8.558877e-03 3.300862e-03 -6.000000e+00 8.359989e-02 223.89 -2.00 3.55 -2.00 317.92 0.00e+00 2.013591e-03 1.441652e-03 2.383349e-04 -6.000000e+00 3.682545e-03 279.39 -2.00 20.00 -2.00 317.26 0.00e+00 2.131 0.000 302.00 328.00 3 7.4423e+00 2.2775e-02 2.4963e-02 -6.0000e+00 2.0626e-01 1.0542e-01 2.5804e-02 1.4211e-02 -6.0000e+00 2.2452e-01 1.0188e-02 1.6493e-02 6.9023e-03 -6.0000e+00 1.3387e-01 -1.0195e-02 8.5863e-03 2.6750e-03 -6.0000e+00 5.7662e-02 2.6614e-05 -3.0296e-04 4.8708e-04 2.5350e-05 -6.0000e+00 3.8323e-03 -2.6276e-02 1.3343e-04 12 8 8 10 0 0 92.58 18.50 2.61 -0.02628 -0.02855 6 6 2 8 0 4000.000 14.99 18.50 17.39 21.98 21.79 23.8 947.52 1907 72375 7953 18297 8756 54452 -10909 44797 35909 80568 8051 70553 4640 8268 -2685 6286 31412 9568 10287 -8814 18486 -37915 36043 14987 9756 -22417 3738 -2531 2564 6584 6625 10604 -4401 4209 794 9005 -28136 11770 -863 2455 168 1553 1965 413 -5094 -1891 -6942 -9605 2550 3113 -1419 348 3690 2034 7258 2174 106 137 -630 -3013 -3561 1606 1326 1961 -2347 5136 -3867 553 90 -1135 4966 8336 1953 1013 2527 559 220 -7083 -3507 -5446 1149 -162 -3398 750 -96 466 882 -547 94 -464 -1018 592 1510 -2673 -2353 -3154 489 2107 1661 1237 805 1317 -1682 -1415 -1524 -644 4743 -265 138 -1131 1082 460 -1362 -864 -1573 919 -1838 -1479 -1998 -632 496 181 341 28 1665 152 -445 2628 989 461 928 978 -427 -1458 636 18 727 -1188 580 654 613 -1415 -598 146 3216 689 1400 647 2389 -916 2433 2383 3836 764 3639 496 993 -402 982 4187 1591 1777 -1911 3245 -11202 5219 2820 2023 -6444 876 -605 536 1271 1352 2251 -1178 1115 207 1996 -9630 3073 -304 1000 78 727 949 207 -2688 -1002 -3834 -5305 1223 1465 -727 189 2046 1212 4276 1364 70 89 -406 -1957 -2363 1079 974 1551 -1935 3773 -2842 373 62 -897 4132 7074 1787 906 2093 425 155 -4986 -2403 -4132 923 -147 -3440 757 -104 540 1042 -681 118 -571 -1204 629 1445 -2586 -2270 -3382 561 2661 2217 1654 1051 1580 -1909 -1599 -1886 -841 6106 -376 198 -1745 1742 765 -2246 -1326 -2297 1208 -2431 -2014 -2917 -980 786 284 524 42 2288 209 -582 3256 1328 647 1370 1496 -672 -2378 1077 33 1337 -2205 1076 1220 1098 -2496 -1010 SS 20241101T152336.3Z 9071.641393 148 1 7.84 2 61.71 153.71 65.59 154.66 0.00 1 0.00 1 0 17 1.111e-02 6.514e-03 9.099e-03 3.126e-03 2.523297e-01 1.535559e-03 3.118825e-03 -6.000000e+00 6.163428e-03 223.89 -2.00 3.55 -2.00 317.11 0.00e+00 6.876826e-04 2.100607e-04 5.198384e-05 -6.000000e+00 2.716010e-04 279.39 -2.00 20.00 -2.00 316.45 0.00e+00 2.100 0.000 302.00 328.00 3 4.0152e+00 4.0109e-03 2.4194e-02 -6.0000e+00 1.5206e-02 4.0173e-03 4.5138e-03 1.3015e-02 -6.0000e+00 1.6555e-02 -2.9423e-03 2.7132e-03 6.4623e-03 -6.0000e+00 9.8713e-03 -6.7864e-04 1.3486e-03 1.9388e-03 -6.0000e+00 4.2500e-03 9.2287e-04 2.8861e-04 8.5941e-05 2.0758e-05 -6.0000e+00 2.8270e-04 -2.4004e-02 1.0398e-04 12 9 1 12 1 1 98.88 18.49 0.26 -0.02400 -0.02183 8 31 2 8 0 870.870 15.00 18.49 17.51 21.98 21.79 23.9 948.54 -3784 -749 -2627 -2218 -5145 -2647 -879 -2188 -661 186 -2980 -1531 -991 -1793 515 919 171 -387 377 834 546 -543 1395 1726 128 993 -739 545 -729 138 315 221 550 1010 -2371 -1327 -3284 -1289 930 -1201 -1153 -736 -468 -321 -94 -20 -422 -566 -276 -339 742 692 530 1509 891 1003 1033 871 118 627 907 2017 1057 1841 1431 426 -495 -1041 561 188 100 0 137 391 42 315 46 -1369 -171 -924 -1203 -890 -2184 -1680 -1643 -552 -463 -433 -88 326 561 775 -121 27 795 360 10 670 490 -246 -162 -215 -674 -338 -206 -872 -730 -733 -522 274 850 113 106 48 -68 89 550 749 101 -51 -520 -169 21 50 633 270 613 1580 831 160 497 57 -149 126 152 -83 -171 223 -45 -550 -417 -387 -428 -454 -98 -356 -300 -626 -288 -97 -271 -91 27 -452 -225 -160 -336 104 210 41 -97 98 223 151 -150 379 495 39 314 -243 169 -209 38 90 68 183 359 -823 -424 -1151 -489 413 -612 -657 -424 -279 -194 -57 -12 -259 -339 -161 -195 442 432 350 1043 627 716 753 639 85 445 653 1533 859 1562 1248 357 -395 -802 436 162 94 0 133 369 39 266 36 -1037 -130 -771 -1106 -859 -2251 -1791 -1821 -639 -565 -537 -111 396 662 854 -126 27 802 392 12 839 650 -327 -208 -261 -779 -393 -256 -1133 -988 -1019 -741 402 1288 176 162 70 -95 118 728 1001 142 -75 -786 -252 31 72 872 365 801 2058 1110 225 737 87 -228 194 243 -138 -292 381 -78 -940 -700 -641 -687 SS 20241101T152819.3Z 9071.644668 150 1 46.58 2 61.34 154.93 65.25 155.81 0.00 1 0.00 1 0 17 9.972e-03 5.503e-03 4.860e-04 1.660e-04 2.503263e-01 8.138489e-05 3.091185e-03 -6.000000e+00 5.528578e-03 223.89 -2.00 3.55 -2.00 317.19 0.00e+00 4.395510e-04 1.141516e-05 5.391587e-05 -6.000000e+00 2.436730e-04 279.39 -2.00 20.00 -2.00 316.53 0.00e+00 2.075 0.000 302.00 328.00 3 6.5547e-02 2.1308e-04 2.3936e-02 -6.0000e+00 1.3640e-02 -1.9291e-02 2.4010e-04 1.2895e-02 -6.0000e+00 1.4851e-02 -6.0218e-03 1.4426e-04 6.4166e-03 -6.0000e+00 8.8552e-03 4.6198e-04 7.1604e-05 1.8763e-03 -6.0000e+00 3.8117e-03 4.9904e-02 8.5958e-05 4.5651e-06 2.0227e-05 -6.0000e+00 2.5366e-04 -2.3349e-02 6.4419e-05 10 0 0 10 0 0 29.31 18.49 0.33 -0.02335 -0.02270 3398 1050 2 8 0 13.490 15.00 18.49 17.66 21.98 21.79 24.0 950.49 -1899 -1932 -1208 -2686 -3884 -3638 -2518 -1376 -691 -1113 -2666 -2855 -1882 -1466 -318 67 -163 410 559 1141 887 340 737 683 154 311 137 -163 -909 -206 1094 701 1699 400 -1747 -2116 -1858 -1443 -560 -170 -499 -619 -460 -584 -129 -207 -226 -116 -448 -106 804 828 759 1116 774 1018 945 661 615 559 869 1065 1280 1612 586 -182 -184 -701 254 372 248 294 64 414 195 -18 -111 -744 -320 -531 -947 -806 -1943 -1724 -1306 -940 -513 -401 197 179 306 377 209 500 594 226 323 720 265 -218 -151 -501 -537 -12 -476 -863 -699 -655 -393 113 253 186 98 119 -4 218 294 302 218 173 -287 -91 212 152 593 526 432 1169 827 427 382 14 -67 17 -17 -28 -278 137 -163 -318 -236 -452 -439 -223 -255 -166 -362 -463 -397 -282 -169 -95 -166 -402 -425 -306 -273 -67 16 -41 105 135 284 228 95 207 185 44 93 42 -47 -269 -58 320 221 522 134 -560 -699 -658 -529 -243 -88 -266 -346 -266 -344 -75 -121 -130 -65 -269 -62 491 500 484 751 545 726 690 486 442 397 626 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