File name: Pandora206s1_BuffaloNY_20250117_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20250118T053221.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20250117_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: United States Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20250117 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]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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 20250117T153352.4Z 9148.648523 334 1 24.00 2 68.59 151.96 98.07 288.72 0.00 1 0.00 1 0 17 4.431e-01 3.032e-02 3.078e-01 2.170e-02 4.447156e-01 1.112778e-02 5.168739e-03 -6.000000e+00 2.491217e-01 223.56 -2.00 3.55 -2.00 319.71 0.00e+00 1.874592e-03 3.241895e-03 4.420466e-04 -6.000000e+00 1.211578e-02 272.41 -2.00 20.00 -2.00 319.22 0.00e+00 2.714 0.000 302.00 328.00 3 6.6872e+00 3.1270e-02 3.5045e-02 -6.0000e+00 6.1763e-01 4.8005e-02 3.7485e-02 2.3284e-02 -6.0000e+00 6.7625e-01 9.2017e-02 3.4135e-02 1.1796e-02 -6.0000e+00 3.9940e-01 -4.0268e-02 1.8109e-02 4.3307e-03 -6.0000e+00 1.7380e-01 2.4688e-05 -4.9614e-04 6.2328e-04 4.0000e-05 -6.0000e+00 1.2050e-02 3.3377e-03 0.0000e+00 12 8 8 10 0 0 -103.51 17.68 1.84 0.00334 -0.00039 6 6 2 8 0 4000.000 15.02 17.68 9.06 21.27 21.06 23.7 962.42 -112121 900000 900000 900000 900000 57617 900000 -53809 900000 135522 900000 731 34162 307612 900000 109071 900000 -22484 64254 -9762 53939 38705 106035 35913 -45425 54429 39161 249968 -25755 55030 -1580 10599 2200 -10041 10442 -10812 18675 -14034 62634 -5844 46873 -2828 9980 -4265 16914 -15846 -7207 -113 10061 2761 4238 13786 -9181 18483 -204 13420 -3319 8156 -9656 -10293 -6291 4372 -7322 8107 -2382 -6334 -5329 -7458 6027 -5931 9474 -5456 3357 2076 135 -573 7570 -4006 -7038 1505 -2684 5008 -4235 4574 -2770 7939 1229 2979 -1909 587 68 3153 -744 -1973 -1896 -3428 3412 312 1574 -194 3039 -3868 2152 -6760 2524 -2756 111 2460 -970 2293 189 3151 -4578 -309 -571 1453 -2538 -1147 -494 1281 2038 -1381 1979 649 -1976 633 1898 -2235 693 -1753 1868 -250 -1313 -1430 -50 132 110 597 1542 2557 -211 -475 -2580 -3660 900000 900000 900000 900000 1217 900000 -1357 900000 2863 900000 15 722 6498 900000 2304 900000 -1380 1839 -599 1874 1556 2315 1664 -4918 2374 2055 5280 -2278 2364 -127 888 221 -1239 993 -1220 1782 -2094 5463 -1184 6312 -665 2167 -1095 3528 -4524 -1955 -29 2338 709 1164 3795 -3314 5625 -79 4642 -1398 3063 -4213 -4444 -2674 1812 -3684 3998 -1313 -3529 -2797 -3973 2984 -3698 5798 -3936 2214 1363 83 -319 3528 -2026 -3916 892 -1903 3706 -3622 3739 -2603 7186 1248 3066 -2074 599 64 2743 -626 -1649 -1710 -3439 3613 386 2081 -258 3663 -4543 2233 -7725 2867 -3368 137 3152 -1369 3410 302 5068 -7795 -491 -841 1962 -3548 -1644 -749 2016 3202 -2177 2930 933 -2848 851 2391 -2961 981 -2698 2977 -426 -2320 -2632 -96 269 221 1217 3130 5084 -410 -880 -4703 SS 20250117T161004.3Z 9148.673661 353 1 45.83 2 65.92 160.67 104.12 295.06 0.00 1 0.00 1 0 25 5.085e-02 5.404e-03 6.085e-02 4.045e-03 4.076818e-01 2.000518e-03 4.881022e-03 -6.000000e+00 2.807071e-02 223.56 -2.00 3.55 -2.00 319.66 0.00e+00 8.854988e-04 5.553881e-04 4.974261e-04 -6.000000e+00 1.205363e-03 272.41 -2.00 20.00 -2.00 319.14 0.00e+00 2.434 0.000 302.00 328.00 3 4.2473e+00 5.6010e-03 3.1829e-02 -6.0000e+00 6.9359e-02 -1.9104e-02 6.6118e-03 2.1412e-02 -6.0000e+00 7.5715e-02 3.6016e-02 5.5596e-03 1.0735e-02 -6.0000e+00 4.4975e-02 -2.0500e-02 2.9496e-03 3.2893e-03 -6.0000e+00 1.9187e-02 4.1759e-04 -4.1913e-04 1.1552e-04 3.4597e-05 -6.0000e+00 1.2938e-03 3.3354e-03 0.0000e+00 10 0 0 10 0 0 99.98 17.67 0.39 0.00334 0.00019 239 74 1 8 0 191.750 14.98 17.67 9.91 21.27 21.06 23.8 968.09 -9966 -9326 -7338 -2252 10566 14637 19804 -35579 -17761 7911 -5614 -483 -70 10089 -8536 12363 -10929 -847 -3292 -7911 10096 -2675 -294 2 466 -1225 7264 -4683 -1430 931 -6377 1573 2442 1233 -2080 -1005 -3060 256 -4095 10 -303 -221 645 -5386 1673 -1206 -1389 -562 854 1936 -128 2130 -653 877 500 1024 1742 -226 363 248 1363 1347 1618 1464 300 399 -1168 -857 490 532 837 164 -30 629 -131 633 739 -474 94 -1694 -553 -186 -1884 -1701 -1291 -426 -359 164 73 836 886 623 499 628 208 89 887 1054 337 -638 144 -384 -747 96 -415 -773 -630 -628 -207 -58 98 170 267 313 65 -496 81 98 -273 -235 -286 -88 -235 652 -108 430 349 655 599 296 406 88 -106 -38 149 -399 14 181 200 -58 -39 -496 -164 -194 -208 -172 -49 179 227 312 -1103 -525 198 -163 -14 -2 372 -424 582 -704 -53 -224 -593 653 -195 -22 0 39 -111 621 -431 -119 76 -629 161 279 154 -253 -116 -395 37 -756 2 -73 -56 170 -1541 446 -335 -387 -155 233 534 -39 695 -235 333 200 419 729 -97 150 101 562 601 798 797 171 213 -599 -433 259 324 564 117 -21 426 -83 355 376 -235 49 -1042 -385 -145 -1621 -1526 -1235 -434 -384 180 81 888 868 563 419 515 184 89 989 1327 433 -873 184 -449 -803 103 -492 -972 -827 -872 -304 -87 158 284 434 480 99 -708 115 145 -432 -394 -485 -146 -378 999 -158 600 462 872 875 474 694 158 -196 -73 286 -812 30 381 424 -119 -77 -995 -316 SS 20250117T161544.8Z 9148.677602 356 1 27.78 2 65.59 162.08 105.05 296.09 0.00 1 0.00 1 0 17 7.296e-02 8.090e-03 7.502e-02 6.046e-03 4.050244e-01 2.977186e-03 4.874980e-03 -6.000000e+00 4.027402e-02 223.56 -2.00 3.55 -2.00 319.18 0.00e+00 2.045919e-03 7.227622e-04 6.728213e-04 -6.000000e+00 1.729288e-03 272.41 -2.00 20.00 -2.00 318.66 0.00e+00 2.403 0.000 302.00 328.00 3 5.4115e+00 8.1646e-03 3.1579e-02 -6.0000e+00 9.9512e-02 2.8434e-02 9.4745e-03 2.1642e-02 -6.0000e+00 1.0863e-01 1.9071e-02 7.5185e-03 1.0552e-02 -6.0000e+00 6.4526e-02 -1.5592e-02 4.0329e-03 3.7776e-03 -6.0000e+00 2.7531e-02 1.3120e-04 -1.4584e-04 1.6830e-04 3.4407e-05 -6.0000e+00 1.8560e-03 2.6245e-03 0.0000e+00 11 8 0 10 0 0 99.83 17.66 0.37 0.00262 0.00153 11 11 1 8 0 2525.050 15.00 17.66 10.06 21.27 21.06 23.9 969.78 -22223 24428 31259 4772 -2948 -26692 -13667 6395 28421 19011 8175 8621 -37011 14273 9430 9746 6232 -17575 4822 -479 14551 -2028 3820 1311 -2316 -1412 -4447 -3370 -1798 1206 10675 5663 2621 21 1549 -8887 -10840 3536 1136 724 1977 -2696 1936 -1038 354 -896 -3286 -804 582 -2607 368 -318 293 2270 1670 1015 433 514 657 -2925 616 1655 689 2425 -711 -224 -1374 -1954 255 327 2238 90 20 2296 -166 755 -1049 -416 -2513 -1108 -90 -270 -2425 -1661 -718 660 62 -971 783 996 1024 1187 528 -264 -201 6 938 1005 329 193 391 -662 -497 -464 -328 -328 -1244 -121 -478 -209 805 408 -181 -158 288 -369 -346 -1366 -687 59 -19 -485 480 953 -579 58 -72 1072 506 390 689 423 -399 112 55 -165 230 502 -45 -338 327 -726 -472 -609 499 639 124 -73 -797 -381 163 659 527 254 278 -2161 626 504 606 435 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