File name: Pandora206s1_BuffaloNY_20241010_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T093848.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 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_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20241010_L1_smca1c4d20220512p1-8.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: 20241010 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]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20241010T123948.1Z 9049.527640 78 1 25.53 2 77.42 112.19 155.58 60.36 0.00 1 0.00 1 0 17 3.306e-01 2.500e-02 2.696e-01 1.648e-02 5.685901e-01 9.156456e-03 6.930084e-03 -6.000000e+00 1.956533e-01 226.02 -2.00 3.55 -2.00 320.76 0.00e+00 9.470856e-03 3.798850e-03 4.928578e-03 -6.000000e+00 1.235635e-02 282.19 -2.00 20.00 -2.00 320.18 0.00e+00 4.463 0.002 302.00 328.00 3 5.2768e+00 2.8886e-02 6.2208e-02 -6.0000e+00 4.8898e-01 2.0081e-01 3.8007e-02 5.4867e-02 -6.0000e+00 5.3778e-01 -1.3166e-01 3.8138e-02 1.6007e-02 -6.0000e+00 3.0816e-01 3.7086e-02 1.8938e-02 1.6118e-02 -6.0000e+00 1.4157e-01 1.6746e-05 -8.2104e-04 4.8970e-04 8.2853e-05 -6.0000e+00 9.2885e-03 -4.7698e-02 2.4066e-04 12 8 8 10 0 0 99.61 18.16 0.73 -0.04770 -0.05387 7 7 4 8 0 3645.660 15.00 18.16 15.58 21.58 21.58 23.3 920.21 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 128006 121960 231676 900000 900000 -8364 900000 -19024 900000 14197 900000 42142 62551 -74802 900000 3359 900000 -17296 75799 76371 71052 20858 33666 18251 11196 18318 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-1191 -384 825 644 1075 460 -195 -852 -23 3483 -457 -1744 -2817 79 -310 -222 1134 3233 1704 -23 1237 2295 -1717 -2548 883 -3402 1033 -846 1125 -5129 -792 -307 850 -487 -2126 1522 -2183 1482 -2391 140 250 2948 -1831 2102 3452 1451 492 2152 3383 -986 1188 -884 -1723 -773 683 2291 -154 -352 -3760 -27 SS 20241010T124434.6Z 9049.530956 81 1 26.67 2 76.61 113.08 154.85 61.99 0.00 1 0.00 1 0 17 3.265e-01 7.373e-03 2.452e-01 6.347e-03 5.489186e-01 3.289161e-03 6.444551e-03 -6.000000e+00 1.845099e-01 226.02 -2.00 3.55 -2.00 320.62 0.00e+00 1.172232e-03 1.303819e-03 1.451376e-03 -6.000000e+00 8.211304e-03 282.19 -2.00 20.00 -2.00 320.02 0.00e+00 4.213 0.001 302.00 328.00 3 3.9160e+00 1.0224e-02 5.0935e-02 -6.0000e+00 4.5696e-01 4.6392e-02 1.3169e-02 3.1441e-02 -6.0000e+00 4.9686e-01 -2.9339e-02 1.2665e-02 1.5006e-02 -6.0000e+00 2.9454e-01 7.8776e-04 6.3391e-03 5.0981e-03 -6.0000e+00 1.2581e-01 9.2429e-05 -4.8390e-04 1.7839e-04 4.8836e-05 -6.0000e+00 8.4108e-03 -4.8872e-02 2.7751e-04 11 8 0 10 0 0 99.87 18.16 0.43 -0.04887 -0.05251 28 28 2 8 0 952.330 14.99 18.16 15.69 21.58 21.58 23.3 920.89 -75443 -39751 -32702 318263 68298 900000 -75805 900000 -57331 70093 29584 -1403 -47221 -21034 -43384 -5903 -8709 -8828 -39869 -28189 65246 -13811 8078 -1838 5162 -20319 -9484 -15612 -13568 -4365 -3197 2647 -8296 7758 -6222 4963 -8370 -18166 5934 6090 -514 -195 443 3154 -2277 46 6148 -8678 3699 -2246 10167 3978 3604 964 5020 879 2432 291 1578 -674 2018 255 583 2553 -3784 510 -438 239 -1098 1194 1184 869 48 469 1678 -1496 1937 -4006 -421 -1477 -185 50 -791 -2497 -1764 -837 67 -670 320 1172 851 374 130 1861 -408 267 433 -262 469 539 190 -58 -4 828 -713 -1032 -862 -495 -310 -152 572 176 -103 214 207 250 -78 -53 -614 267 -369 -1395 578 -173 309 451 142 934 1046 99 858 -50 -242 -315 7 -348 -53 251 21 -164 172 -206 -102 -657 -303 -257 1969 423 900000 -848 900000 -696 434 183 -12 -775 -335 -1034 -122 -209 -225 -1508 -1008 994 -446 223 -62 176 -917 -402 -687 -575 -171 -143 131 -510 455 -408 286 -575 -1603 503 634 -66 -27 64 458 -351 7 902 -1497 582 -390 1705 796 789 236 1263 231 652 81 435 -186 548 76 188 913 -1545 193 -161 88 -433 532 596 464 26 242 793 -653 771 -1645 -178 -715 -103 32 -562 -1902 -1374 -695 58 -607 291 1026 719 293 97 1339 -326 234 434 -303 576 668 231 -64 -4 809 -769 -1186 -1035 -631 -411 -221 886 290 -170 340 318 361 -113 -79 -980 432 -608 -2321 916 -267 450 654 197 1296 1556 166 1510 -95 -477 -630 14 -789 -122 574 48 -379 374 -442 -209 SS 20241010T125018.5Z 9049.534937 84 1 46.46 2 75.65 114.17 153.96 63.86 0.00 1 0.00 1 0 17 1.824e-01 6.055e-03 1.331e-01 3.377e-03 5.241354e-01 1.745306e-03 6.111553e-03 -6.000000e+00 1.018441e-01 226.02 -2.00 3.55 -2.00 320.68 0.00e+00 6.917621e-04 6.837341e-04 8.206521e-04 -6.000000e+00 4.506414e-03 282.19 -2.00 20.00 -2.00 320.06 0.00e+00 3.950 0.001 302.00 328.00 3 2.6230e+00 5.4459e-03 4.7583e-02 -6.0000e+00 2.5223e-01 -1.5290e-03 6.9548e-03 2.8495e-02 -6.0000e+00 2.7418e-01 5.6635e-03 6.6036e-03 1.4325e-02 -6.0000e+00 1.6349e-01 -1.1061e-02 3.3119e-03 4.3803e-03 -6.0000e+00 7.0167e-02 4.5002e-04 -1.2052e-03 9.5953e-05 4.7581e-05 -6.0000e+00 4.6433e-03 -4.6861e-02 9.8229e-05 10 0 0 10 0 0 99.99 18.16 0.44 -0.04686 -0.05592 777 240 2 8 0 59.020 15.00 18.16 15.92 21.58 21.58 23.4 922.72 -13305 -48831 49170 -54121 -51919 -78063 -88068 -49299 -91684 34829 -49662 20850 -45050 13597 -8489 4058 -32003 -12791 -6506 -16921 -14309 -11606 -2349 -9357 -4841 -17942 -1925 -18029 -8118 -15169 7019 1716 5516 2462 -817 -10604 -11866 -5827 -5601 2711 -7077 1440 246 4050 392 5355 295 1290 -178 -1306 1377 -350 1394 -71 3665 856 3318 -177 3019 12 1116 1185 2854 1063 614 983 45 1191 -663 1528 -265 1281 -1173 2088 289 1085 -348 199 920 -859 -931 -955 -2036 -2243 -1297 -1423 676 -446 928 609 761 -19 891 486 491 -251 -48 809 236 102 -215 138 -539 -13 -1026 -861 -996 -898 -393 -78 389 -353 7 -263 143 -191 414 221 431 -198 -8 -94 303 10 458 190 30 1198 300 387 131 348 -161 245 -295 -118 -315 290 80 -247 110 -376 -142 -74 -466 194 -606 -513 -951 -1276 -552 -1647 218 -752 165 -831 175 -168 86 -987 -356 -185 -567 -488 -386 -73 -345 -186 -838 -80 -858 -331 -672 286 86 306 157 -52 -708 -874 -471 -553 303 -1002 201 37 601 61 803 47 207 -30 -229 257 -74 316 -18 946 236 926 -52 832 3 311 357 948 405 250 384 17 448 -269 702 -128 645 -610 1098 144 478 -142 78 382 -425 -537 -628 -1372 -1594 -975 -1154 566 -392 812 520 603 -16 669 360 394 -232 -47 886 286 125 -249 146 -564 -13 -1162 -947 -1149 -1102 -516 -112 612 -593 11 -422 214 -269 576 320 663 -325 -13 -151 471 16 712 286 43 1706 477 628 232 653 -315 499 -648 -273 -752 700 195 -588 246 -807 -292 SS 20241010T130347.7Z 9049.544302 88 1 1.51 2 73.43 116.76 151.82 67.91 0.00 1 0.00 1 0 25 8.196e-02 5.885e-03 4.742e-02 3.015e-03 4.610059e-01 1.517348e-03 5.471951e-03 -6.000000e+00 4.579808e-02 226.02 -2.00 3.55 -2.00 319.66 0.00e+00 6.383132e-04 4.411592e-04 2.068380e-04 -6.000000e+00 2.026066e-03 282.18 -2.00 20.00 -2.00 319.00 0.00e+00 3.451 0.001 302.00 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