File name: Pandora206s1_BuffaloNY_20241115_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T202443.5Z 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 v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20241115_L1_smca1c6d20240814p1-8.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: 20241115 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 20241115T144234.7Z 9085.612902 321 1 24.01 2 69.31 145.19 111.37 330.82 0.00 1 0.00 1 0 25 4.465e-01 2.985e-02 2.817e-01 2.588e-02 3.483677e-01 1.286962e-02 4.244010e-03 -6.000000e+00 2.473562e-01 222.71 -2.00 3.55 -2.00 318.89 0.00e+00 2.214541e-04 2.903334e-03 6.681870e-04 -6.000000e+00 1.185458e-02 277.63 -2.00 20.00 -2.00 318.28 0.00e+00 2.802 0.000 302.00 328.00 3 6.8506e+00 3.5140e-02 3.2672e-02 -6.0000e+00 6.0844e-01 1.4777e-01 4.0566e-02 1.8366e-02 -6.0000e+00 6.6410e-01 -2.3653e-04 3.0068e-02 9.0558e-03 -6.0000e+00 3.9522e-01 -5.1162e-03 1.6099e-02 2.6672e-03 -6.0000e+00 1.7185e-01 2.2037e-05 -3.7495e-04 7.4041e-04 2.7939e-05 -6.0000e+00 1.1635e-02 -4.5690e-03 0.0000e+00 12 8 8 10 0 0 27.67 18.05 2.46 -0.00457 -0.00739 6 6 2 8 0 4000.000 14.99 18.05 16.41 21.58 21.48 23.9 952.84 -18476 900000 99705 900000 58295 900000 87 219355 -13769 93877 900000 172803 195073 50586 -11711 -13389 106620 15212 46449 -22017 38112 3401 71608 4500 13673 -37712 207403 60571 -12723 6573 -3384 15827 2648 -2077 294 9476 -3517 26877 222428 -7000 1218 -312 13899 -7118 3371 -8427 -6580 -14906 8480 -5072 6264 6335 -84 794 4921 4753 769 1105 -3238 -6341 -3296 10199 799 1585 -6808 827 -3913 -21 -2431 -3314 6188 -1309 1994 4232 5039 -1456 6102 -960 568 -5351 62 2732 -5300 -981 -1432 6426 -1042 -156 -882 2295 -2832 7700 3349 -3836 -1377 120 2881 -1029 -884 2816 3084 -3987 -690 -3307 2405 -2981 -1733 1818 411 -875 1846 2593 -2310 -1346 -593 1222 -2091 -716 -2374 1190 -237 -1915 2287 853 -348 -155 -1174 827 1065 -2668 3886 1175 1113 -2131 -376 -1062 489 1926 1678 420 -805 -2379 32 -857 900000 2515 900000 1470 900000 3 5533 -784 2368 900000 4359 4921 2339 -1143 -1525 4034 1461 3554 -3368 3287 410 4576 586 1724 -8086 5232 5042 -1967 851 -509 2236 457 -404 52 1506 -670 4497 6813 -2307 413 -113 4535 -2913 1234 -3490 -2650 -6416 2870 -1977 2319 2551 -38 383 2382 2352 406 582 -1731 -3431 -1762 5112 483 1038 -4980 522 -2413 -12 -1509 -2376 4481 -1071 1584 3154 3464 -987 3453 -552 335 -3820 47 2212 -5033 -928 -1453 6478 -1190 -182 -1048 2553 -3058 7076 2956 -3499 -1299 125 3146 -1313 -1217 3693 3785 -4812 -763 -3787 2847 -3806 -2277 2429 587 -1362 3001 4306 -3924 -2126 -854 1663 -2910 -1020 -3551 1832 -377 -3028 3494 1268 -494 -210 -1522 1046 1456 -4099 5950 1922 1857 -3677 -678 -2036 943 3736 3294 806 -1495 -4447 56 SS 20241115T154621.9Z 9085.657198 354 1 24.01 2 63.99 160.60 115.29 345.67 0.00 1 0.00 1 0 17 5.110e-01 3.588e-02 1.944e-01 2.317e-02 3.055143e-01 1.145693e-02 3.879226e-03 -6.000000e+00 2.830604e-01 222.70 -2.00 3.55 -2.00 318.42 0.00e+00 3.469177e-03 2.229384e-03 8.759243e-04 -6.000000e+00 1.297744e-02 277.63 -2.00 20.00 -2.00 317.79 0.00e+00 2.267 0.000 302.00 328.00 3 7.2598e+00 3.0703e-02 2.7560e-02 -6.0000e+00 6.9600e-01 1.2491e-01 3.5097e-02 1.7886e-02 -6.0000e+00 7.5954e-01 1.0769e-02 2.4636e-02 7.9224e-03 -6.0000e+00 4.5229e-01 -1.2643e-03 1.3133e-02 3.9254e-03 -6.0000e+00 1.9609e-01 2.5555e-05 -1.1713e-03 6.5396e-04 3.5752e-05 -6.0000e+00 1.3183e-02 -2.9577e-03 0.0000e+00 12 9 8 11 8 0 -195.07 18.03 -0.31 -0.00296 -0.01176 6 6 2 8 0 4000.000 15.00 18.03 17.03 21.58 21.48 23.8 955.79 -25118 900000 18922 900000 -29131 900000 21010 448839 -9715 172094 18915 257942 41118 25437 66940 23121 102139 27133 64231 -15999 92283 -17892 76133 1650 9709 -30327 26096 19225 3060 33578 6254 45122 -916 21504 -8730 26316 -22065 2845 8310 355 -8356 -8444 10192 -9072 6336 -12696 2983 -19689 18095 -3437 4338 232 -2084 -4316 3325 1390 156 127 -677 -3707 1579 16322 -2472 4403 -6929 3407 -11470 2311 242 3286 2979 -937 4439 3278 5184 -3458 10233 -1220 2771 -6516 1502 2058 -3806 -2940 548 3714 638 2908 -1571 3192 -2235 4431 1442 464 -5203 -2047 -311 514 -698 2759 2536 -26 -1976 -1621 1053 -1952 -262 -2277 866 -547 2217 803 -2113 -1225 439 1161 -2712 -3 -1537 2545 -3028 -2614 991 1859 -307 2177 -1181 -19 -300 -1262 2933 4101 331 -3336 2437 -757 2280 -1568 1986 -2558 189 -2256 2417 -1839 900000 1108 900000 -2273 900000 1010 10137 -747 3887 1161 5826 2397 1993 4194 2497 5507 3141 5395 -3022 6454 -3478 6157 278 1568 -7576 3905 2944 512 4076 1081 5796 -205 4128 -2126 4235 -6025 713 2352 126 -3586 -3797 3955 -4365 2611 -6387 1274 -10349 6641 -1513 1919 112 -1091 -2449 1816 783 90 74 -398 -2216 916 8778 -1705 3086 -5577 2366 -8290 1452 161 2412 2363 -811 3769 2709 3922 -2555 5922 -745 1676 -4911 1184 1797 -3803 -3024 563 3970 741 3415 -1949 3660 -2575 4356 1335 413 -5148 -2180 -364 647 -962 3635 3241 -31 -2226 -1831 1268 -2561 -352 -3282 1270 -844 3551 1339 -3521 -1891 630 1534 -3673 -4 -2277 3873 -4988 -4206 1502 2677 -426 2904 -1538 -24 -413 -1827 4314 6176 526 -5661 4145 -1402 4186 -3054 3776 -4933 340 -3985 3934 SS 20241115T165752.9Z 9085.706862 397 1 24.01 2 61.73 179.46 116.25 3.27 0.00 1 0.00 1 0 17 2.362e-01 2.906e-02 1.701e-01 2.095e-02 2.903633e-01 1.023252e-02 3.579581e-03 -6.000000e+00 1.300892e-01 222.70 -2.00 3.55 -2.00 318.08 0.00e+00 2.635470e-03 1.799485e-03 7.784278e-05 -6.000000e+00 5.722211e-03 277.62 -2.00 20.00 -2.00 317.44 0.00e+00 2.101 0.000 302.00 328.00 3 7.3017e+00 2.7181e-02 2.5319e-02 -6.0000e+00 3.2028e-01 1.5750e-01 3.0924e-02 1.5121e-02 -6.0000e+00 3.4946e-01 -4.9779e-03 2.0240e-02 7.5707e-03 -6.0000e+00 2.0834e-01 -1.2919e-02 1.0588e-02 2.9653e-03 -6.0000e+00 8.9501e-02 2.9626e-05 -1.4022e-03 5.8498e-04 2.8107e-05 -6.0000e+00 6.0105e-03 -4.9263e-04 0.0000e+00 12 9 8 11 8 0 -16.20 18.03 2.72 -0.00049 -0.01103 6 6 2 8 0 4000.000 14.99 18.03 18.63 21.58 21.38 24.0 966.25 -8469 130374 43321 154507 -30932 113476 -6505 58405 -26800 71999 -2015 47821 -1279 7107 8465 9445 46940 -2699 23906 -10011 18526 -13955 27575 -12009 4449 -20019 5638 9180 -4791 14603 -6647 14998 1373 8364 -12804 8084 -16595 -101 5119 -2289 -4236 -2567 7932 582 6038 -4437 2171 -16012 15622 -3511 4123 -2352 -704 3113 3616 1302 1990 -1164 771 -4733 -2028 5590 -842 3965 -4131 6898 -6363 1743 -9918 2835 4558 -527 289 1824 7541 -2758 5254 -1088 -447 -5729 3179 1044 -2746 -1926 809 3271 498 893 -952 1458 -4005 2263 95 254 -6143 -2043 683 904 1586 1667 -372 -778 -933 -3537 2375 -3087 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