File name: Pandora75s1_EssexMD_20241017_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T080655.9Z 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_20241017_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: 20241017 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 20241017T135222.8Z 9056.578042 5 1 51.60 2 64.08 129.55 114.73 310.36 0.00 1 0.00 1 0 17 2.070e-02 7.672e-03 5.407e-04 1.560e-04 3.438423e-01 8.122078e-05 4.034925e-03 -6.000000e+00 1.229266e-02 225.94 -2.00 3.48 -2.00 317.37 0.00e+00 1.068471e-03 1.231506e-05 3.502266e-04 -6.000000e+00 5.546675e-04 285.10 -2.00 20.00 -2.00 316.59 0.00e+00 2.274 0.000 302.00 328.00 3 7.8540e-02 2.1385e-04 2.8527e-02 -6.0000e+00 3.0344e-02 -8.4826e-04 2.4130e-04 1.7165e-02 -6.0000e+00 3.2965e-02 -3.9151e-03 1.4482e-04 8.4790e-03 -6.0000e+00 1.9714e-02 -3.3731e-03 7.0845e-05 2.4330e-03 -6.0000e+00 8.2426e-03 3.2809e-02 -1.0661e-04 4.8678e-06 2.9976e-05 -6.0000e+00 6.4038e-04 8.5935e-03 -3.0973e-06 11 8 0 10 0 0 24.29 23.32 0.44 0.00859 0.00779 2394 390 1 5 0 21.550 26.11 20.00 23.32 18.16 5.5 944.14 -4484 -3520 -4147 -6101 -7651 -8020 -7106 -5360 -4965 -6244 -6836 -5941 -3933 -2083 -435 -257 295 907 1545 1562 1407 1254 1430 1184 914 588 -442 -1451 -1195 -686 -48 767 290 -1695 -3392 -3546 -2776 -1470 -71 -126 -269 11 129 442 576 768 442 51 -4 444 881 1226 1374 1327 1025 1052 813 251 179 511 1206 1909 2319 1800 849 -24 -391 -97 632 1139 659 626 525 195 -248 -1064 -1641 -1890 -1914 -1659 -1798 -1935 -2017 -1745 -873 -461 209 565 509 444 351 -60 -468 -290 -233 62 438 527 97 -389 -1035 -1424 -877 -530 -895 -1006 -553 -252 521 894 829 598 377 64 -92 -4 196 414 444 353 399 597 644 659 610 183 175 340 276 83 -184 -414 -234 -20 34 89 355 272 60 -2 -431 -815 -864 -393 -342 -424 -617 -726 -734 -672 -551 -563 -765 -868 -790 -528 -321 -77 -51 63 203 362 380 322 290 338 296 243 163 -124 -397 -312 -179 -13 233 96 -595 -1182 -1231 -955 -578 -30 -63 -139 6 73 254 333 444 255 29 -3 260 509 760 909 875 707 744 586 181 128 363 879 1402 1846 1454 698 -19 -312 -76 501 1001 602 598 501 180 -224 -877 -1323 -1486 -1593 -1466 -1703 -1936 -2075 -1897 -962 -539 244 676 608 511 392 -65 -477 -306 -249 71 530 674 127 -502 -1319 -1759 -1028 -634 -1100 -1309 -725 -347 730 1288 1260 893 567 94 -127 -5 266 585 642 517 590 869 945 926 848 244 236 467 391 122 -276 -646 -363 -33 56 148 608 475 105 -4 -729 -1335 -1400 SS 20241017T135741.9Z 9056.581735 8 1 51.61 2 63.30 130.72 115.45 311.48 0.00 1 0.00 1 0 17 1.917e-02 7.625e-03 4.813e-04 1.493e-04 3.344566e-01 7.774212e-05 3.937708e-03 -6.000000e+00 1.138281e-02 225.94 -2.00 3.48 -2.00 317.30 0.00e+00 1.019878e-03 1.151239e-05 3.271685e-04 -6.000000e+00 5.136142e-04 285.10 -2.00 20.00 -2.00 316.52 0.00e+00 2.213 0.000 302.00 328.00 3 7.0874e-02 2.0417e-04 2.7760e-02 -6.0000e+00 2.8098e-02 -1.4048e-03 2.3040e-04 1.6711e-02 -6.0000e+00 3.0525e-02 -2.6787e-03 1.3736e-04 8.2543e-03 -6.0000e+00 1.8255e-02 -3.8657e-03 6.6579e-05 2.3626e-03 -6.0000e+00 7.6326e-03 3.5563e-02 -1.2210e-04 4.6644e-06 2.9103e-05 -6.0000e+00 5.9298e-04 8.4625e-03 -7.9675e-06 11 8 0 10 0 0 12.53 23.36 0.43 0.00846 0.00754 2495 406 1 5 0 20.680 26.11 20.00 23.36 18.31 5.5 944.75 -3968 -2807 -3865 -5710 -7229 -7240 -6016 -5095 -4307 -5825 -6166 -5441 -3510 -2002 -511 51 292 1103 1487 1541 1402 1381 1425 1319 1089 764 -324 -1344 -937 -584 106 815 310 -1767 -3307 -3457 -2741 -1453 -87 -112 -270 22 190 404 547 732 295 51 -32 430 793 1170 1361 1326 1066 1026 793 206 157 527 1190 1903 2225 1758 810 15 -387 -96 639 1106 654 626 489 216 -226 -1038 -1589 -1852 -1844 -1629 -1785 -1902 -2021 -1737 -893 -476 234 594 503 455 327 -61 -457 -264 -209 77 450 529 66 -380 -1039 -1431 -873 -524 -903 -972 -537 -252 507 885 835 572 376 58 -90 -8 194 439 464 330 395 578 655 669 613 211 173 361 284 97 -203 -401 -230 -25 37 85 360 267 76 -10 -445 -812 -888 -383 -299 -434 -633 -750 -722 -617 -572 -532 -778 -850 -785 -510 -334 -97 11 67 265 343 369 344 341 361 353 308 225 -97 -392 -260 -162 31 261 100 -604 -1118 -1165 -991 -600 -39 -55 -147 13 106 228 310 415 167 29 -18 245 476 753 878 905 759 708 558 145 116 387 846 1443 1733 1463 686 12 -300 -78 519 944 611 583 455 203 -198 -876 -1310 -1487 -1481 -1465 -1719 -1933 -2112 -1834 -998 -541 278 722 611 532 371 -67 -472 -269 -226 88 549 682 86 -494 -1334 -1782 -1033 -632 -1120 -1277 -710 -337 715 1282 1231 858 568 83 -124 -10 264 598 671 484 586 844 963 943 856 282 234 477 402 142 -304 -602 -356 -40 60 141 614 464 132 -16 -750 -1327 -1437 SS 20241017T140252.3Z 9056.585328 11 1 51.60 2 62.55 131.88 116.14 312.58 0.00 1 0.00 1 0 17 1.774e-02 7.592e-03 4.393e-04 1.447e-04 3.260433e-01 7.517772e-05 3.836554e-03 -6.000000e+00 1.053836e-02 225.94 -2.00 3.48 -2.00 317.16 0.00e+00 9.891265e-04 1.077970e-05 2.976813e-04 -6.000000e+00 4.754916e-04 285.10 -2.00 20.00 -2.00 316.39 0.00e+00 2.158 0.000 302.00 328.00 3 6.7159e-02 1.9721e-04 2.7051e-02 -6.0000e+00 2.6014e-02 -3.8240e-04 2.2236e-04 1.6264e-02 -6.0000e+00 2.8260e-02 -2.2928e-03 1.3162e-04 8.0228e-03 -6.0000e+00 1.6900e-02 -4.1408e-03 6.3384e-05 2.2905e-03 -6.0000e+00 7.0666e-03 3.8107e-02 -1.1824e-04 4.5151e-06 2.8903e-05 -6.0000e+00 5.4896e-04 8.3234e-03 -2.7269e-06 11 8 0 10 0 0 30.39 23.38 0.45 0.00832 0.00743 2591 422 1 5 0 19.910 26.21 20.00 23.38 18.58 5.5 947.64 -2842 -2577 -3135 -5315 -6359 -6985 -5483 -4371 -3811 -5040 -5907 -4973 -3368 -1658 -339 122 370 1089 1559 1495 1500 1340 1617 1229 1074 602 -341 -1290 -1047 -491 110 845 322 -1609 -3395 -3346 -2729 -1390 -132 -182 -381 8 148 314 456 626 377 9 -96 379 791 1150 1307 1298 933 1032 781 265 160 510 1197 1895 2220 1689 771 -44 -451 -161 612 1110 694 634 521 235 -252 -983 -1571 -1828 -1895 -1649 -1785 -1898 -2025 -1743 -889 -491 207 578 504 434 377 -39 -430 -241 -174 61 454 531 71 -376 -1018 -1405 -863 -529 -920 -980 -544 -242 508 846 814 566 371 59 -89 4 186 432 445 336 401 573 624 665 621 208 192 348 267 85 -191 -391 -211 -9 59 102 377 252 68 -15 -440 -825 -897 -298 -301 -384 -643 -717 -760 -612 -532 -511 -662 -804 -705 -529 -298 -70 28 83 257 384 383 393 354 437 351 324 190 -109 -400 -309 -144 34 285 110 -578 -1208 -1183 -1035 -559 -62 -94 -217 5 86 186 271 371 222 5 -56 224 493 722 873 917 649 736 567 193 115 366 879 1483 1782 1448 638 -37 -359 -127 509 970 632 603 496 215 -227 -849 -1255 -1499 -1553 -1434 -1667 -1873 -2151 -1870 -1010 -567 249 686 597 515 435 -42 -450 -249 -191 70 537 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