File name: Pandora187s1_PittsburghPA_20210913_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T074045.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20210913_L1_smca1c2d20210902p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20210913 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20210913T122204.8Z 7926.515333 311 1 47.15 2 75.08 98.17 154.83 56.32 0.00 1 0.00 1 0 25 2.586e-01 1.308e-02 2.432e-01 8.445e-03 4.749629e-01 4.434806e-03 5.523153e-03 -6.000000e+00 1.501103e-01 229.27 -2.00 3.49 -2.00 320.36 0.00e+00 3.533395e-04 1.651874e-03 1.245830e-03 -6.000000e+00 7.178218e-03 287.03 -2.00 20.00 -2.00 319.64 0.00e+00 3.807 0.001 302.00 328.00 3 4.1581e+00 1.3588e-02 4.4928e-02 -6.0000e+00 3.7442e-01 -2.9259e-02 1.7016e-02 2.6493e-02 -6.0000e+00 4.0650e-01 3.2609e-03 1.5074e-02 1.2472e-02 -6.0000e+00 2.4205e-01 -7.3817e-03 7.6197e-03 3.6407e-03 -6.0000e+00 1.0461e-01 1.2357e-04 -1.1019e-03 2.5633e-04 3.9988e-05 -6.0000e+00 7.2963e-03 8.5383e-03 -6.3133e-06 12 8 8 10 0 0 95.45 18.85 1.07 0.00854 0.00026 15 5 1 5 0 3142.710 22.19 15.00 18.85 28.99 10.5 997.07 900000 900000 900000 134832 -119776 63560 24245 48625 900000 -71028 -28235 96139 -39675 124127 -41455 51054 -13859 25297 -19280 52868 51004 -21685 4706 -2750 19796 -25756 28919 7070 -9977 -8114 4539 -21096 22023 25763 -5034 268 -1577 -7700 -676 4612 -9791 1699 -815 4975 -2350 6387 38 2864 -9209 2246 373 -1307 -4395 1075 9318 302 5438 -199 7046 -7548 2633 3150 6449 134 6000 -1874 2304 -1373 -467 661 1159 183 -3622 613 -2359 1068 -2585 1327 -5047 -793 -3960 415 -4016 -945 -784 -241 2157 3209 2683 1968 504 -781 2930 -1021 -106 -534 1910 -568 -226 -394 103 -1343 214 -676 -2388 -1475 -1288 -19 1333 894 -191 1867 -43 -266 -1110 -343 -629 -303 -359 16 -524 743 -329 -89 828 -901 1654 267 954 -341 905 -31 811 -10 734 -846 409 -580 -374 -162 64 -328 900000 900000 900000 1109 -2957 523 199 400 900000 -1705 -465 791 -1034 1021 -1592 875 -494 659 -833 1160 1154 -1041 187 -128 787 -1678 1071 310 -520 -456 282 -1765 1433 1599 -410 22 -153 -887 -88 655 -1739 283 -144 836 -430 1180 8 561 -2108 494 92 -329 -1232 304 2753 93 1745 -66 2150 -2716 920 1117 2450 57 2554 -755 969 -638 -225 351 650 104 -2071 312 -1221 487 -1185 622 -2896 -462 -2699 297 -3186 -777 -691 -223 2023 2999 2449 1691 406 -598 2142 -837 -97 -560 2210 -732 -291 -481 115 -1400 221 -759 -2898 -1865 -1725 -27 1886 1378 -311 2944 -66 -414 -1650 -505 -968 -457 -572 26 -825 1119 -524 -135 1192 -1270 2325 417 1506 -587 1618 -57 1587 -21 1498 -1801 876 -1257 -843 -348 131 -657 SS 20210913T122424.6Z 7926.516951 313 1 46.16 2 74.64 98.57 154.48 57.17 0.00 1 0.00 1 0 25 2.742e-01 1.185e-02 2.207e-01 8.228e-03 4.611543e-01 4.281613e-03 5.448737e-03 -6.000000e+00 1.589905e-01 229.27 -2.00 3.49 -2.00 320.29 0.00e+00 -1.565292e-03 1.540719e-03 1.300035e-03 -6.000000e+00 7.385136e-03 287.03 -2.00 20.00 -2.00 319.56 0.00e+00 3.705 0.001 302.00 328.00 3 4.1764e+00 1.2999e-02 4.3562e-02 -6.0000e+00 3.9659e-01 -4.2387e-02 1.6117e-02 2.5135e-02 -6.0000e+00 4.3060e-01 -4.1945e-03 1.3975e-02 1.2609e-02 -6.0000e+00 2.5605e-01 -1.4310e-03 7.0992e-03 3.6244e-03 -6.0000e+00 1.0888e-01 1.3782e-04 -1.6660e-03 2.5065e-04 4.6098e-05 -6.0000e+00 7.6682e-03 1.0451e-02 -1.6276e-04 12 8 8 10 0 0 99.53 18.85 0.84 0.01045 -0.00207 17 5 1 5 0 2714.850 22.19 15.01 18.85 29.03 10.5 997.32 29970 900000 13585 262142 -93343 -27729 10137 -15841 900000 -66225 20858 -26124 53070 10897 -25858 -3605 -17454 -1755 9314 23272 64029 -26484 -12064 -12616 -6759 -13845 369 58146 -20565 5006 -5088 -373 9354 15592 -9929 -8738 -7530 -7752 3484 2188 -3093 2064 2456 -1993 2019 2139 4569 -4159 -6690 -2388 2739 -4210 341 2101 4920 2726 2519 -2404 3655 -4925 2276 7423 4647 2512 6192 -1205 -2232 -396 -1698 2403 1273 370 -1080 -69 -1824 1132 -2657 -1521 -2282 -946 -4120 -1673 -2461 -1791 231 -499 2125 2614 1398 2373 429 3 2996 -1557 -628 -541 1589 303 -1348 136 -309 -825 -249 -897 -2193 -903 -1436 321 1280 95 79 1547 517 93 -490 -492 -483 -597 -662 -539 -445 827 -576 622 -756 -571 1181 1382 1524 173 205 384 236 719 41 -1108 335 -561 -141 334 -171 -511 240 900000 118 2102 -2059 -334 95 -222 900000 -1815 251 -576 638 240 -968 -120 -723 -67 336 762 1412 -1487 -637 -734 -397 -907 20 1865 -1319 296 -347 -30 743 1148 -912 -847 -840 -969 516 345 -556 370 450 -384 376 437 913 -919 -1566 -576 693 -1140 95 614 1457 855 872 -859 1207 -1803 831 2857 1860 1076 2700 -540 -1006 -187 -847 1286 731 216 -617 -36 -963 529 -1247 -749 -1298 -562 -2855 -1239 -1949 -1507 205 -471 2024 2493 1310 2057 350 2 2214 -1297 -584 -571 1854 388 -1758 165 -344 -859 -261 -1017 -2678 -1144 -1939 457 1972 148 128 2443 785 144 -721 -722 -740 -901 -1054 -866 -700 1349 -918 936 -1106 -801 1666 2128 2381 295 367 710 460 1488 90 -2342 711 -1297 -315 707 -347 -1018 SS 20210913T122647.5Z 7926.518605 319 1 46.80 2 74.20 98.98 154.12 58.03 0.00 1 0.00 1 0 25 1.331e-01 8.610e-03 1.819e-01 6.317e-03 4.487534e-01 3.257632e-03 5.197449e-03 -6.000000e+00 7.709018e-02 229.27 -2.00 3.49 -2.00 320.10 0.00e+00 -5.040687e-04 1.118065e-03 8.440374e-04 -6.000000e+00 3.504559e-03 287.03 -2.00 20.00 -2.00 319.36 0.00e+00 3.607 0.001 302.00 328.00 3 3.9217e+00 9.7843e-03 4.2240e-02 -6.0000e+00 1.9187e-01 -5.5904e-02 1.2019e-02 2.4056e-02 -6.0000e+00 2.0810e-01 9.7045e-03 1.0225e-02 1.1700e-02 -6.0000e+00 1.2418e-01 -9.3215e-03 5.2190e-03 3.2090e-03 -6.0000e+00 5.2869e-02 1.9813e-04 -9.0197e-04 1.9027e-04 3.9174e-05 -6.0000e+00 3.7195e-03 8.7212e-03 -3.1665e-05 11 8 0 10 0 0 95.50 18.85 0.89 0.00872 0.00194 19 6 1 5 0 2462.510 22.19 15.00 18.85 29.10 10.5 997.82 -25640 900000 54037 29519 -86421 -20072 56706 -19003 -386 -62659 -12302 4633 -2737 21245 -20304 20536 -8843 15337 92 18907 9729 -17811 -5814 -2538 2105 -9231 3564 23315 -12866 397 4 -4597 7812 10187 -637 -1027 2181 -8752 -2054 3555 -4539 -1445 1666 1549 -588 1155 -278 -2906 -4600 -228 -1008 -858 67 800 5153 486 3585 -1577 4175 -1301 61 3378 3676 1225 1863 -1085 -1422 1109 -443 531 507 138 -483 -213 -1556 508 -2559 104 -2220 -1452 -2457 -1421 -1862 -1291 326 96 1234 1802 663 1776 566 -512 1345 -340 -136 -1064 1746 -203 -124 -16 96 -759 424 -559 -2115 -642 -847 -67 1672 222 -108 693 293 -3 -411 -864 -642 -82 -602 -187 -133 780 -171 169 -721 -646 1326 142 871 301 368 539 156 272 -15 -525 315 -614 -9 -3 91 -415 -316 900000 333 215 -1887 -236 349 -287 -5 -1719 -214 86 -66 484 -825 620 -387 567 4 745 425 -1053 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