File name: Pandora75s1_EssexMD_20240729_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080116.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240729_L1_smca1c3d20230525p1-8.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: 20240729 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240729T120425.5Z 8976.503073 254 1 21.38 2 68.49 83.15 17.15 182.95 0.00 1 0.00 1 0 17 4.210e-02 8.045e-03 7.318e-03 1.185e-03 3.906912e-01 6.289563e-04 4.523737e-03 -6.000000e+00 2.561547e-02 232.26 -2.00 3.48 -2.00 318.35 0.00e+00 1.301701e-03 1.250744e-04 7.675191e-04 -6.000000e+00 1.155782e-03 290.81 -2.00 20.00 -2.00 317.45 0.00e+00 2.702 0.000 302.00 328.00 3 2.6428e+00 1.7199e-03 3.3961e-02 -6.0000e+00 6.4078e-02 -1.1951e-02 1.9580e-03 2.0343e-02 -6.0000e+00 6.9197e-02 -1.2746e-02 1.2513e-03 9.8136e-03 -6.0000e+00 4.1315e-02 -1.3944e-03 6.3434e-04 2.6716e-03 -6.0000e+00 1.7174e-02 1.5693e-03 1.5322e-04 3.7037e-05 3.2238e-05 -6.0000e+00 1.3049e-03 3.8751e-03 5.0083e-05 12 9 1 12 1 1 99.71 23.68 0.58 0.00388 0.00503 62 25 1 5 0 339.270 26.41 20.00 23.68 32.11 4.5 1037.60 -15781 -10796 -5735 -7626 -19139 -14568 -17222 -14368 -10813 -11092 -12779 -12675 -8344 -5882 -3553 -2685 -825 655 -381 -942 870 1390 774 845 -112 1626 -3671 -2890 -2660 -231 -549 -56 766 -2196 -3695 -4044 -3665 -1981 947 -152 257 672 546 742 -75 927 157 271 -520 1005 369 1799 1330 1961 1086 972 618 121 164 77 1479 2174 2414 2249 1120 55 -112 -256 886 1334 747 1099 730 473 -449 -838 -1757 -2326 -2335 -2007 -1855 -2212 -2061 -1567 -693 -152 494 1071 770 730 432 -69 -770 -634 -437 -285 347 530 21 -379 -1163 -1539 -961 -574 -870 -1129 -685 -286 513 816 941 592 386 54 -275 -29 83 496 518 334 531 670 553 529 542 92 53 268 196 -113 -116 -439 -326 -12 50 182 421 280 60 65 -355 -777 -716 -724 -535 -286 -379 -993 -697 -885 -797 -645 -712 -868 -918 -663 -541 -376 -321 -106 89 -55 -144 134 216 125 144 -19 278 -667 -505 -493 -42 -99 -11 168 -519 -870 -953 -932 -575 293 -56 105 291 246 315 -32 399 68 127 -228 448 177 919 734 1145 621 575 374 73 98 46 905 1422 1609 1611 825 39 -77 -176 645 1081 624 959 639 398 -354 -643 -1257 -1637 -1748 -1691 -1659 -2080 -2092 -1588 -744 -165 558 1238 892 815 477 -70 -793 -649 -451 -328 423 678 27 -488 -1498 -1941 -1146 -696 -1071 -1476 -895 -394 748 1219 1425 920 586 81 -389 -41 117 729 771 522 837 1040 834 767 784 128 72 372 293 -174 -182 -721 -531 -21 86 329 781 508 108 119 -628 -1385 -1260 SS 20240729T121347.7Z 8976.509580 257 1 51.58 2 66.69 84.55 17.33 190.09 0.00 1 0.00 1 0 17 2.626e-02 7.762e-03 2.325e-03 4.867e-04 3.639674e-01 2.577329e-04 4.220277e-03 -6.000000e+00 1.597551e-02 232.26 -2.00 3.48 -2.00 317.94 0.00e+00 1.248010e-03 4.549879e-05 5.789575e-04 -6.000000e+00 7.209302e-04 290.81 -2.00 20.00 -2.00 317.03 0.00e+00 2.508 0.000 302.00 328.00 3 2.0209e+00 6.9644e-04 3.1513e-02 -6.0000e+00 3.9963e-02 -1.4151e-02 7.8760e-04 1.8819e-02 -6.0000e+00 4.3159e-02 -1.1896e-02 4.8735e-04 9.0977e-03 -6.0000e+00 2.5768e-02 -8.3819e-04 2.4344e-04 2.4996e-03 -6.0000e+00 1.0709e-02 3.6577e-03 -7.7436e-05 1.5286e-05 2.9718e-05 -6.0000e+00 8.1406e-04 4.0965e-03 -5.2200e-06 11 8 0 10 0 0 -4.89 23.68 0.46 0.00410 0.00351 326 53 1 5 0 158.200 26.41 20.01 23.68 32.71 4.6 1043.47 -8016 -5499 -3365 -7082 -9845 -10247 -8226 -8797 -6489 -9007 -7774 -7661 -5729 -3726 -1551 -1064 -96 659 1132 897 1271 1483 928 1085 1224 570 -1172 -1806 -1603 -919 -127 165 405 -1907 -3795 -3648 -3106 -1709 -57 15 -181 168 219 515 539 688 58 -116 -226 228 631 1012 1325 1397 1103 1150 697 118 71 370 1054 2029 2509 1963 952 89 -228 -39 790 1447 950 1031 704 262 -260 -1107 -1681 -2216 -2103 -1781 -1897 -1970 -1971 -1569 -764 -277 362 770 738 709 498 -26 -544 -479 -377 -104 375 505 69 -449 -1111 -1556 -968 -611 -1021 -1098 -534 -264 506 817 821 553 408 -43 -157 -18 124 468 509 360 521 590 655 657 505 75 65 307 185 21 -258 -447 -325 -57 89 110 413 420 134 62 -383 -815 -845 -485 -366 -230 -491 -650 -654 -537 -640 -512 -781 -689 -719 -599 -449 -214 -150 -15 106 191 158 230 270 175 216 257 126 -265 -398 -339 -194 -29 41 110 -552 -1097 -1048 -960 -554 -22 6 -83 82 111 264 278 356 30 -60 -117 112 329 568 793 829 686 735 456 77 46 240 701 1436 1807 1521 754 68 -167 -28 609 1164 839 900 617 235 -218 -902 -1269 -1638 -1643 -1470 -1673 -1931 -1976 -1663 -816 -314 409 892 855 831 546 -28 -550 -479 -402 -116 447 634 92 -596 -1403 -1918 -1131 -726 -1299 -1413 -720 -358 727 1203 1228 845 608 -64 -225 -25 170 665 736 547 802 894 964 969 711 107 89 431 265 32 -408 -708 -531 -94 154 192 740 767 245 110 -658 -1408 -1443 SS 20240729T122029.6Z 8976.514232 261 1 51.87 2 65.40 85.56 17.58 195.07 0.00 1 0.00 1 0 17 2.241e-02 7.740e-03 1.884e-03 4.568e-04 3.480144e-01 2.424543e-04 4.044461e-03 -6.000000e+00 1.363548e-02 232.26 -2.00 3.48 -2.00 317.72 0.00e+00 1.125971e-03 4.028905e-05 4.969944e-04 -6.000000e+00 6.153190e-04 290.81 -2.00 20.00 -2.00 316.82 0.00e+00 2.386 0.000 302.00 328.00 3 2.0386e+00 6.5112e-04 3.0032e-02 -6.0000e+00 3.4110e-02 -1.2910e-02 7.3469e-04 1.7965e-02 -6.0000e+00 3.6837e-02 -9.8636e-03 4.4543e-04 8.6827e-03 -6.0000e+00 2.1994e-02 -1.8474e-03 2.1934e-04 2.3804e-03 -6.0000e+00 9.1405e-03 4.1285e-03 -3.4347e-05 1.4327e-05 2.8726e-05 -6.0000e+00 6.9480e-04 4.1545e-03 5.3043e-06 11 8 0 10 0 0 13.24 23.68 0.50 0.00415 0.00390 339 55 1 5 0 152.090 26.41 19.99 23.68 33.27 4.6 1046.84 -6312 -4379 -3549 -5603 -8926 -8460 -6892 -5756 -5998 -6669 -7574 -6336 -4769 -2923 -881 -391 86 656 1176 1334 1557 1342 1524 1015 1165 488 -632 -1299 -1656 -594 -135 565 309 -1922 -3792 -3639 -3107 -1831 -18 -27 -207 111 136 305 367 610 271 -207 -241 320 606 1132 1219 1335 987 976 731 177 50 473 1115 1807 2369 1904 881 59 -323 -24 781 1341 842 917 708 304 -227 -968 -1710 -2131 -2076 -1794 -1813 -1966 -1984 -1590 -760 -304 452 880 677 559 534 -6 -555 -350 -322 12 348 494 31 -488 -1097 -1584 -984 -599 -917 -1019 -587 -284 462 827 891 572 330 77 -228 -8 156 436 488 391 422 601 684 611 544 130 99 268 196 15 -292 -483 -314 54 54 138 430 353 122 76 -407 -823 -865 -454 -347 -292 -458 -699 -634 -530 -484 -561 -671 -793 -692 -580 -408 -127 -64 15 121 228 269 321 280 326 230 279 122 -162 -323 -396 -141 -34 156 86 -567 -1113 -1061 -974 -656 -7 -12 -97 55 70 159 193 321 142 -108 -126 171 341 683 734 852 659 670 480 117 35 328 744 1285 1824 1479 698 45 -250 -18 597 1136 739 842 652 270 -200 -780 -1357 -1650 -1696 -1544 -1664 -1898 -2066 -1662 -842 -341 529 1056 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