File name: Pandora75s1_EssexMD_20241212_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T084347.2Z 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_20241212_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: 20241212 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 20241212T141516.6Z 9112.593943 246 1 51.09 2 73.34 140.82 122.52 358.95 0.00 1 0.00 1 0 17 2.384e-01 1.501e-02 9.318e-02 3.823e-03 4.889634e-01 2.012035e-03 5.814560e-03 -6.000000e+00 1.411099e-01 223.13 -2.00 3.48 -2.00 319.80 0.00e+00 3.016232e-03 6.277739e-04 2.065068e-03 -6.000000e+00 6.488044e-03 278.73 -2.00 20.00 -2.00 319.20 0.00e+00 3.433 0.001 302.00 328.00 3 4.7366e+00 5.7489e-03 4.2555e-02 -6.0000e+00 3.4671e-01 3.8542e-02 6.8652e-03 2.5918e-02 -6.0000e+00 3.7804e-01 -4.5671e-02 5.6897e-03 1.3981e-02 -6.0000e+00 2.2511e-01 1.6549e-02 2.9405e-03 4.7401e-03 -6.0000e+00 9.4360e-02 8.4207e-05 -2.7540e-04 1.2058e-04 7.1439e-05 -6.0000e+00 7.5240e-03 1.0628e-02 -1.4533e-05 12 9 8 11 8 0 90.02 22.93 0.68 0.01063 0.00856 13 2 1 5 0 3929.510 25.79 20.00 22.93 12.30 5.7 908.94 -168127 -4227 900000 900000 -95776 -36171 900000 6063 -90433 122925 -35858 57488 28922 900000 8802 -25265 -24041 -16976 12301 2677 13432 27527 -2218 -5690 -6152 2165 -16495 -20987 -20324 49433 8205 1403 133 -3225 7533 2549 -2638 -2579 12601 14464 -4123 8264 8138 3008 263 5420 8259 -809 1030 4616 967 966 2284 5897 4005 6796 372 -2102 -2173 -3965 2385 5952 3742 1619 3010 -2717 -486 -1103 3629 1014 -163 3537 -220 -3647 -768 -436 -3150 -1614 -1636 -3562 -1021 -3252 -2238 -1982 -2410 -2 311 1155 -311 2550 674 -374 -1215 -1771 -1666 304 1283 389 742 -267 -1343 -1473 -1020 -597 -1905 -1156 32 306 691 937 2305 832 573 -456 -669 343 217 -270 852 44 949 594 1126 643 447 -1056 -441 -1437 52 136 -139 -394 -470 55 -397 -264 318 675 -289 706 -261 -121 -644 -8883 -50 900000 900000 -2790 -564 900000 79 -3436 595 -895 621 496 900000 275 -1299 -1361 -974 564 142 656 1179 -132 -373 -431 146 -1358 -1767 -1673 2118 596 125 13 -356 735 262 -311 -354 1779 2355 -905 1718 1774 708 65 1282 1920 -209 268 1216 286 313 790 1917 1394 2378 141 -817 -832 -1540 902 2362 1683 809 1526 -1421 -242 -562 1910 615 -109 2378 -152 -2490 -470 -241 -1672 -842 -928 -2364 -756 -2531 -1871 -1758 -2292 -2 321 1212 -330 2527 636 -332 -1039 -1545 -1582 320 1401 479 964 -347 -1662 -1677 -1183 -699 -2215 -1412 41 415 1007 1380 3591 1355 922 -706 -976 512 327 -395 1300 70 1504 922 1682 928 666 -1532 -624 -2132 77 220 -242 -722 -839 102 -789 -548 630 1351 -578 1440 -512 -226 -1200 SS 20241212T142100.2Z 9112.597920 249 1 51.50 2 72.64 142.00 122.51 0.48 0.00 1 0.00 1 0 25 2.826e-01 1.435e-02 1.244e-01 3.506e-03 4.706524e-01 1.814116e-03 5.662969e-03 -6.000000e+00 1.659753e-01 223.13 -2.00 3.48 -2.00 319.64 0.00e+00 2.691408e-03 5.357854e-04 1.960444e-03 -6.000000e+00 7.376622e-03 278.73 -2.00 20.00 -2.00 319.02 0.00e+00 3.304 0.001 302.00 328.00 3 4.7371e+00 5.1289e-03 4.1008e-02 -6.0000e+00 4.0801e-01 2.6358e-02 6.0724e-03 2.5085e-02 -6.0000e+00 4.4469e-01 -3.2503e-02 4.8894e-03 1.3123e-02 -6.0000e+00 2.6546e-01 9.4338e-03 2.5383e-03 4.1423e-03 -6.0000e+00 1.1087e-01 9.7730e-05 -7.3216e-04 1.0933e-04 6.1890e-05 -6.0000e+00 8.7353e-03 9.1530e-03 -1.0418e-04 12 8 8 10 0 0 53.08 22.94 0.60 0.00915 0.00365 14 2 1 5 0 3677.960 25.79 20.00 22.94 12.50 5.7 910.43 -154915 -17671 61976 104973 -77733 -44937 137476 11392 -64417 2916 11553 -2379 55835 173304 -1528 -15513 -17980 -18889 15027 -4432 23804 22234 -3927 -1250 -12446 7118 -12413 -15912 -19669 23488 3551 -14773 6304 -5925 7641 -2608 -6033 -5466 8180 7707 -1175 8660 7583 528 -1617 311 2071 -2817 -569 6716 3265 2089 1912 8083 4752 3891 1363 -1532 -2620 -3657 2248 6611 3259 1699 3212 -877 1198 -2091 2619 1399 -398 3420 -265 -2357 -1165 -102 -1585 -412 -1439 -3700 -1845 -2646 -1718 -1619 -2005 -676 463 680 674 1190 234 -378 -673 -2167 -1761 383 953 436 285 249 -1099 -1796 -528 -1431 -1481 -1689 -839 608 896 849 2427 827 521 -363 -768 771 -86 -577 614 694 503 687 1273 799 252 -813 -73 -1028 416 -30 0 -610 -359 -219 -215 -106 335 587 -489 561 -235 -260 -591 -8570 -286 482 574 -2247 -999 517 167 -2246 56 213 -55 859 1007 -62 -838 -1107 -1272 771 -289 1204 1155 -274 -90 -1068 526 -1129 -1463 -1843 1486 306 -1743 672 -754 836 -316 -823 -863 1351 1502 -280 2004 1856 142 -451 86 569 -822 -166 1908 1037 667 661 2814 1796 1532 561 -648 -1102 -1550 931 2846 1605 922 1764 -488 634 -1160 1495 906 -262 2474 -181 -1712 -772 -60 -892 -228 -870 -2619 -1343 -2173 -1517 -1518 -2015 -658 468 704 695 1272 235 -357 -606 -2004 -1760 390 1094 560 362 336 -1421 -2152 -590 -1637 -1801 -2177 -1133 799 1266 1306 3935 1309 814 -583 -1164 1104 -125 -876 972 1141 832 1109 1979 1198 364 -1138 -107 -1460 634 -50 0 -1077 -658 -421 -410 -211 682 1209 -1011 1108 -447 -506 -1138 SS 20241212T143135.4Z 9112.605271 252 1 51.04 2 71.42 144.20 122.41 3.31 0.00 1 0.00 1 0 25 1.918e-01 1.999e-02 3.224e-02 2.958e-03 4.318412e-01 1.520722e-03 5.187270e-03 -6.000000e+00 1.126808e-01 223.13 -2.00 3.48 -2.00 319.22 0.00e+00 6.536601e-03 3.885288e-04 1.199267e-03 -6.000000e+00 5.006899e-03 278.73 -2.00 20.00 -2.00 318.58 0.00e+00 3.099 0.000 302.00 328.00 3 4.6993e+00 4.1899e-03 3.7673e-02 -6.0000e+00 2.7700e-01 7.3593e-02 4.8630e-03 2.1679e-02 -6.0000e+00 3.0188e-01 -1.2175e-01 3.5035e-03 1.2505e-02 -6.0000e+00 1.8021e-01 5.6328e-02 1.8094e-03 6.6066e-03 -6.0000e+00 7.5279e-02 1.2817e-04 -5.7409e-04 9.2832e-05 7.9587e-05 -6.0000e+00 5.9288e-03 9.9013e-03 -2.4414e-05 12 9 8 11 40 0 83.95 22.96 -1.18 0.00990 0.00559 16 3 1 5 0 3189.380 25.79 20.00 22.96 12.85 5.6 912.05 -68364 -57465 60730 -54937 -8026 -5764 56604 -59404 -77902 -68918 -78064 10217 64337 -21618 17429 2852 10384 15425 -21232 -14383 29569 -10394 11842 -26259 -18595 13504 6550 1649 5432 -22283 13143 13954 -5011 9127 15034 -18174 -14356 7058 -9580 10290 5181 12823 9732 4969 6150 10866 10568 -257 6151 -4858 6025 8037 6881 -389 7072 6651 3068 582 -1068 -815 4593 6496 -436 -742 3903 1190 -3139 -380 3834 -1431 787 -2373 -18 -1101 -1545 -147 -7357 -827 -2760 -2982 -1086 -2435 -1520 -1445 -1742 -466 539 1639 -1750 2256 508 -2514 -5126 -1879 -1557 -42 824 145 -1048 459 -709 -1394 -543 -1026 -633 -747 -104 -1211 1213 1575 2329 853 973 156 -404 1287 -1663 244 888 -575 -11 1158 396 1621 1516 -161 898 -371 948 238 182 -90 -300 -29 -1326 -283 316 503 -190 316 -410 -605 -1029 -3280 -2833 1068 -2995 -252 -168 898 -3221 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