File name: Pandora75s1_EssexMD_20241002_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241003T050216.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241002_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241002 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241002T192314.2Z 9041.807803 344 1 35.61 2 55.13 227.12 56.15 226.73 0.00 1 0.00 1 0 17 1.266e-02 7.670e-03 5.093e-03 1.869e-03 2.374033e-01 9.933873e-04 2.886887e-03 -6.000000e+00 7.687040e-03 227.42 -2.00 3.48 -2.00 316.99 0.00e+00 6.425838e-04 1.340983e-04 2.769140e-04 -6.000000e+00 3.426277e-04 286.84 -2.00 20.00 -2.00 316.23 0.00e+00 1.744 0.000 302.00 328.00 3 4.4387e+00 2.5948e-03 2.1256e-02 -6.0000e+00 1.9041e-02 5.5495e-02 2.9004e-03 1.2152e-02 -6.0000e+00 2.0527e-02 -7.2568e-03 1.7135e-03 5.9693e-03 -6.0000e+00 1.2269e-02 -6.5622e-03 8.3167e-04 1.6786e-03 -6.0000e+00 5.2729e-03 8.1027e-04 -8.3045e-04 5.9550e-05 2.2531e-05 -6.0000e+00 3.8970e-04 -3.5683e-02 2.3447e-04 12 9 1 12 17 1 99.60 23.87 0.38 -0.03568 -0.04192 16 4 1 5 0 2094.500 26.51 20.00 23.87 29.56 5.3 1018.41 -2901 -130 -869 -999 -4001 -1489 -3784 -1270 90 -4169 -1368 -2695 -1924 -1058 -586 268 -500 -299 1634 1993 2117 1720 1659 1342 -286 1172 781 -1838 -357 -686 -470 409 -333 -890 -2464 -4233 -2492 -3216 -815 -403 -749 -240 52 439 444 232 -163 -187 -582 209 -357 1216 869 1555 1222 773 644 21 331 594 1171 1712 2409 1179 693 228 -957 -548 185 1213 454 1500 673 603 73 -1294 -1535 -2240 -2197 -1936 -1610 -1862 -1554 -1346 -961 -530 472 285 973 766 63 391 -870 -616 -411 4 505 579 285 -308 -827 -1271 -371 -682 -1052 -1292 -531 -183 510 952 839 570 -27 165 -172 39 65 268 513 422 387 242 640 468 369 -119 -108 456 337 78 -42 -490 -225 49 197 48 411 207 -243 72 -476 -1093 -379 -18 -127 -142 -532 -181 -479 -171 13 -676 -219 -444 -341 -210 -131 65 -130 -80 447 560 605 494 483 408 -92 386 259 -598 -107 -201 -142 130 -114 -316 -858 -1470 -907 -1348 -394 -204 -421 -141 31 268 271 141 -98 -109 -333 119 -213 755 571 1066 868 562 474 16 241 430 866 1340 2014 1050 618 192 -761 -422 148 1064 438 1497 679 588 67 -1087 -1177 -1646 -1667 -1617 -1494 -1902 -1693 -1415 -1074 -629 583 364 1234 938 72 408 -926 -635 -441 5 594 746 386 -413 -1055 -1519 -421 -796 -1318 -1716 -735 -264 709 1392 1279 876 -40 247 -239 51 85 364 741 645 558 375 965 677 506 -156 -136 578 451 111 -62 -754 -354 74 311 80 699 359 -425 123 -788 -1769 SS 20241002T192742.8Z 9041.810912 347 1 19.11 2 55.77 228.23 56.79 227.80 0.00 1 0.00 1 0 17 1.488e-02 8.334e-03 6.447e-03 2.529e-03 2.377878e-01 1.351014e-03 2.886133e-03 -6.000000e+00 9.037713e-03 227.42 -2.00 3.48 -2.00 316.73 0.00e+00 7.892304e-04 1.708465e-04 2.852804e-04 -6.000000e+00 4.027980e-04 286.84 -2.00 20.00 -2.00 315.98 0.00e+00 1.772 0.000 302.00 328.00 3 4.5121e+00 3.5199e-03 2.1459e-02 -6.0000e+00 2.2387e-02 5.1116e-02 3.9237e-03 1.2098e-02 -6.0000e+00 2.4132e-02 -1.2268e-03 2.3002e-03 5.9516e-03 -6.0000e+00 1.4424e-02 -9.4262e-03 1.1052e-03 1.6851e-03 -6.0000e+00 6.2000e-03 7.3169e-04 -7.3128e-04 8.0383e-05 2.2554e-05 -6.0000e+00 4.5810e-04 -3.6326e-02 2.5049e-04 12 9 1 12 17 1 99.21 23.87 0.34 -0.03633 -0.04182 8 4 1 5 0 2122.560 26.51 20.00 23.87 29.73 5.2 1019.32 -3470 -424 661 -1632 -1748 -4834 1231 -5826 1431 -4689 -4982 -2485 -2319 -1044 -954 -1574 -1246 945 1668 3971 1337 1342 542 2262 1585 1807 753 -1511 324 -1366 619 -228 -286 -1619 -3394 -3323 -1377 -2421 -1256 190 -1366 66 -669 326 224 -416 816 -268 -1385 -871 982 694 1639 1579 1213 1723 871 -15 664 493 483 1954 1881 2168 1075 58 -1032 -399 155 943 992 731 587 441 73 -1066 -1311 -1624 -1930 -1579 -1283 -1966 -2122 -1820 -631 -173 129 766 507 990 -177 -525 -448 -599 -525 -595 545 599 373 -465 -906 -1200 -1110 -610 -1186 -1000 -853 93 487 1042 845 607 477 121 -131 168 -18 -96 522 526 534 435 710 414 389 509 -154 741 2 49 -442 -454 -422 315 53 305 372 383 12 -364 -836 -957 -485 -64 102 -249 -243 -650 159 -878 221 -819 -885 -438 -443 -223 -230 -422 -352 271 493 1182 417 419 173 738 544 639 270 -531 105 -437 201 -80 -106 -630 -1300 -1245 -540 -997 -603 104 -842 42 -444 217 150 -278 529 -171 -876 -548 631 475 1172 1087 866 1247 644 -11 484 359 362 1535 1592 1926 963 50 -827 -309 125 837 958 742 598 435 67 -902 -1105 -1307 -1608 -1327 -1199 -2030 -2169 -1957 -715 -208 163 991 657 1232 -207 -563 -480 -624 -570 -652 654 786 477 -592 -1179 -1461 -1294 -725 -1517 -1350 -1121 127 695 1561 1323 957 724 173 -173 224 -24 -133 714 762 790 639 1014 568 545 679 -199 957 2 67 -628 -664 -632 486 86 485 608 638 20 -598 -1336 -1590 SS 20241002T200330.5Z 9041.835769 366 1 51.93 2 61.26 236.49 62.24 235.76 0.00 1 0.00 1 0 17 1.449e-02 7.892e-03 1.968e-03 8.170e-04 2.754469e-01 4.373641e-04 3.336415e-03 -6.000000e+00 8.796023e-03 227.41 -2.00 3.48 -2.00 316.58 0.00e+00 6.303719e-04 5.370007e-05 2.342308e-04 -6.000000e+00 3.920792e-04 286.84 -2.00 20.00 -2.00 315.83 0.00e+00 2.070 0.000 302.00 328.00 3 3.3599e+00 1.1365e-03 2.5013e-02 -6.0000e+00 2.1788e-02 3.6149e-02 1.2647e-03 1.4052e-02 -6.0000e+00 2.3489e-02 -8.3441e-03 7.4086e-04 6.9031e-03 -6.0000e+00 1.4040e-02 -3.7074e-03 3.5464e-04 1.9409e-03 -6.0000e+00 6.0329e-03 1.6394e-03 -1.0758e-03 2.5540e-05 2.6261e-05 -6.0000e+00 4.4601e-04 -3.5544e-02 1.9405e-04 11 8 0 10 0 0 99.71 23.88 0.34 -0.03554 -0.04363 68 11 1 5 0 763.610 26.51 20.00 23.88 29.66 5.3 1018.84 -2175 -757 -572 -1094 -5731 -3471 -4726 -3671 -3412 -3374 -4529 -2772 -1526 -1804 -577 635 665 984 2489 2186 2311 1987 1278 1595 1057 1673 794 340 -230 -105 369 471 240 -1056 -2937 -2978 -3922 -2264 -802 -901 -297 -688 -347 181 403 349 312 -81 -83 116 628 867 858 1508 887 1198 653 482 350 287 894 1157 2062 1645 857 -554 -459 -478 735 1307 649 991 532 306 -78 -724 -1837 -1941 -1959 -1762 -1730 -2176 -1892 -1541 -731 -413 337 656 641 576 248 -73 -450 -569 -264 137 495 737 234 -110 -931 -1387 -823 -503 -813 -944 -462 -216 327 917 913 634 350 15 -64 -9 19 318 521 462 292 553 685 488 405 40 117 167 315 -5 -198 -544 -330 59 -62 219 370 335 -76 -226 -594 -973 -322 -112 -88 -181 -909 -507 -717 -603 -618 -593 -822 -508 -303 -410 -148 179 200 283 735 670 723 626 413 537 376 613 295 122 -78 -35 128 175 96 -445 -1223 -1219 -1734 -1043 -431 -525 -178 -437 -227 120 266 230 203 -52 -52 74 414 608 598 1101 675 930 518 382 274 224 714 926 1766 1498 789 -488 -380 -388 620 1216 626 998 511 300 -72 -642 -1598 -1619 -1700 -1594 -1654 -2184 -2032 -1656 -832 -476 405 812 793 687 290 -82 -474 -586 -285 154 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