File name: Pandora206s1_BuffaloNY_20240703_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240704T052645.5Z 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_20240703_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: 20240703 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 20240703T102809.1Z 8950.436217 117 1 45.68 2 83.37 64.72 57.73 83.37 0.00 1 0.00 1 0 25 4.894e-01 2.506e-02 4.523e-01 1.674e-02 9.367021e-01 9.971591e-03 1.023624e-02 -6.000000e+00 2.923334e-01 232.93 -2.00 3.55 -2.00 322.36 0.00e+00 -2.738046e-03 6.354079e-03 2.959566e-03 -6.000000e+00 1.523500e-02 286.26 -2.00 20.00 -2.00 321.90 0.00e+00 7.863 0.009 302.00 328.00 3 1.3802e+00 4.2739e-02 9.5132e-02 -6.0000e+00 7.4323e-01 9.8302e-01 6.0887e-02 5.8907e-02 -6.0000e+00 8.1163e-01 -1.4087e+00 5.4302e-02 2.9567e-02 -6.0000e+00 4.7066e-01 5.7426e-01 2.4220e-02 8.5136e-03 -6.0000e+00 1.9576e-01 2.4880e-05 -1.7648e-03 4.5807e-04 9.9435e-05 -6.0000e+00 1.3441e-02 5.3445e-03 6.0738e-05 12 8 8 10 0 0 20.06 18.93 0.96 0.00534 -0.00792 45 14 4 8 0 1015.030 14.99 18.93 29.38 22.29 22.29 23.3 1024.97 -139803 -154456 91267 900000 -62842 900000 900000 900000 28080 900000 900000 900000 -200585 900000 139614 46018 900000 900000 23684 -27816 900000 53282 2113 10678 52109 -7414 -70172 -44664 34614 93839 141870 108675 64292 900000 13041 45923 -6849 900000 176509 77232 900000 10250 81716 21573 83712 24583 -129 15932 160008 39704 -9494 72095 54380 42454 36500 29134 41057 93639 35299 1923 -19108 35088 -10865 27667 -1208 23617 5687 20212 26299 27310 25377 11385 15404 11171 16674 -14183 27674 5079 13476 1128 1445 9392 3131 1963 -1982 13671 2745 1792 -3072 3125 -3396 2529 6029 -3160 -2920 -6551 124 2718 -1556 -2895 -449 -4197 -2961 -6314 -4055 -2845 -3334 -5719 -1309 -1052 -61 -389 -2381 25 13 2048 -2220 256 -1755 1010 1772 109 2432 1500 5309 923 2309 400 1838 321 1692 338 -1574 -734 527 -393 688 831 105 205 -3 -1943 -1578 -3414 -4820 1486 900000 -1023 900000 900000 900000 457 900000 900000 900000 -11875 900000 2273 749 900000 900000 386 -618 900000 867 34 174 848 -143 -2493 -1124 564 1528 2310 1769 1047 900000 318 748 -201 900000 2874 1635 900000 501 1996 948 1908 1001 -7 726 2605 1616 -711 2700 2656 2557 2496 2229 2874 3811 2414 172 -2084 2399 -1344 2703 -171 2576 750 2435 3297 3957 4173 2243 2859 2001 2525 -2563 3064 728 2040 237 362 2554 1019 687 -771 4852 1135 767 -1380 1272 -1371 910 2071 -1265 -1355 -3775 80 2005 -1345 -2573 -368 -3205 -1972 -4266 -2905 -2131 -2660 -5103 -1255 -1169 -71 -499 -3231 34 17 2725 -2845 336 -2501 1450 2465 161 3357 2027 6673 1184 2838 530 2837 535 3145 699 -3565 -1771 1361 -1084 1908 2333 296 545 -6 -4504 -3458 SS 20240703T104029.3Z 8950.444783 120 1 45.92 2 81.31 66.70 55.54 85.22 0.00 1 0.00 1 0 17 6.757e-01 1.304e-02 3.121e-01 5.549e-03 7.824974e-01 3.089895e-03 9.081927e-03 -6.000000e+00 3.884338e-01 232.93 -2.00 3.55 -2.00 321.91 0.00e+00 7.042916e-03 1.815981e-03 4.646458e-03 -6.000000e+00 1.754757e-02 286.26 -2.00 20.00 -2.00 321.40 0.00e+00 6.244 0.005 302.00 328.00 3 1.3716e+00 1.2311e-02 7.7508e-02 -6.0000e+00 9.7548e-01 2.8776e-01 1.8252e-02 5.0172e-02 -6.0000e+00 1.0553e+00 -4.6088e-01 1.8442e-02 2.9062e-02 -6.0000e+00 6.2626e-01 1.8460e-01 8.3247e-03 1.0517e-02 -6.0000e+00 2.6508e-01 1.4041e-04 -3.8308e-04 1.5058e-04 1.7193e-04 -6.0000e+00 1.7499e-02 3.9252e-03 8.5294e-05 12 8 8 10 0 0 -57.30 18.93 0.54 0.00393 0.00105 119 37 4 8 0 385.830 15.01 18.93 29.97 22.29 22.29 23.3 1028.44 -291068 96138 -177347 900000 -211989 900000 -201903 -93391 -222141 -89257 -73342 -188915 -182580 -114189 147716 -124485 33561 -56749 25526 -89578 281323 -95012 -92519 -60544 -52260 -79630 -81411 -44751 -90315 98718 -61469 -7890 -30981 217150 -33195 7876 -25992 35469 14949 -3826 19521 721 13523 -7731 21897 -7399 28530 -2676 23189 6449 18863 6299 14655 16009 11358 3058 10876 11277 6603 23365 -4306 17556 3999 18543 4412 12513 1663 7950 6513 6719 6447 3419 6319 792 5545 -3071 3244 -6059 2727 -1948 200 -2361 861 -958 -1077 2172 -529 602 1093 1184 -592 -586 -707 -152 -1562 -784 -859 -180 -607 -1001 -1323 -1822 -1276 -2523 -1472 -2591 -1313 -1519 -365 -1080 1022 323 -389 -480 66 396 -201 546 17 666 399 1000 596 1097 572 479 177 1086 484 -84 947 -110 -92 -535 -56 -280 113 167 342 -63 186 -726 -798 -5726 520 -1483 900000 -2189 900000 -1887 -505 -3059 -483 -397 -2323 -2784 -1179 799 -2326 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1.5440e-02 6.2415e-02 -6.0000e+00 5.0740e-01 6.8026e-03 2.1951e-02 3.7700e-02 -6.0000e+00 5.5064e-01 -4.4566e-02 2.2749e-02 1.9459e-02 -6.0000e+00 3.2359e-01 1.6680e-02 1.0686e-02 8.0295e-03 -6.0000e+00 1.3830e-01 6.2915e-05 -3.2161e-04 2.2242e-04 7.5312e-05 -6.0000e+00 9.1384e-03 3.8370e-03 2.5477e-05 12 8 8 10 0 0 99.76 18.93 0.58 0.00384 0.00142 22 11 2 8 0 1609.070 15.00 18.93 30.20 22.29 22.29 23.2 1028.43 -107703 900000 900000 152634 900000 900000 900000 54064 -16560 900000 900000 135396 -116299 147325 18357 900000 137908 -97290 -46252 -34871 900000 16811 -32037 -118763 -2356 -32052 29305 -8765 -34439 -13005 55053 -37154 32102 8113 27172 -20376 -24813 20738 34177 -5438 5293 6349 -149 2096 -824 3684 18244 1565 -2816 -2079 -4887 10079 5505 1955 3130 5155 8415 1484 -1121 -3668 -3337 -2073 -36 -443 3331 -1679 -934 -4378 3317 -117 2544 2161 2420 2745 -656 -1357 672 3701 -2815 -1788 -3427 859 -2490 243 -1483 2306 2818 -1475 820 528 401 371 1534 -1069 306 -2419 587 -350 1060 435 591 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