File name: Pandora159s1_Wakkerstroom_20230921_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20230923T044157.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20230921_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20230921 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20230921T043108.5Z 8664.188292 48 1 48.54 2 81.86 84.83 119.78 146.39 0.00 1 0.00 1 0 25 6.552e-01 6.535e-02 4.374e-01 1.662e-02 7.034628e-01 9.196962e-03 8.149669e-03 -6.000000e+00 3.744603e-01 227.62 -2.00 3.06 -2.00 321.80 0.00e+00 -1.102133e-02 4.908431e-03 1.501273e-02 -6.000000e+00 1.777803e-02 277.62 -2.00 20.00 -2.00 321.34 0.00e+00 6.631 0.002 302.00 328.00 3 3.3451e+00 3.3355e-02 1.1432e-01 -6.0000e+00 9.3486e-01 1.7854e-04 4.6693e-02 1.3524e-01 -6.0000e+00 1.0186e+00 -2.8605e-01 4.7404e-02 3.0790e-02 -6.0000e+00 6.0415e-01 1.5526e-01 2.2126e-02 1.9315e-02 -6.0000e+00 2.5881e-01 4.8192e-05 7.4290e-04 4.9168e-04 7.5018e-05 -6.0000e+00 1.7706e-02 2.3372e-03 12 8 8 10 0 0 97.10 19.48 0.48 0.00234 0.00792 22 5 4 8 0 2205.610 15.00 19.48 15.88 21.79 21.58 25.2 843.74 900000 -284666 900000 -206570 -205884 -246456 -227818 -184982 -157251 900000 -122922 900000 -13017 -127556 -152358 -96191 85896 900000 -56210 -57279 -85110 -114685 86671 4983 103509 -82206 -86550 -12071 -35870 900000 123859 -37985 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814 1173 2150 873 725 293 3076 1584 1841 2406 1150 2813 3765 3587 2645 1133 6435 3170 1556 -2368 -2073 -172 -4832 -1361 1329 2276 3663 2861 -66122 4922 5099 6009 2697 2200 2577 1006 1428 -694 1226 846 749 1719 1905 2531 7232 6365 4973 4648 8962 7259 6845 5102 1136 -14 59 -2111 -2346 -4848 -1277 -3721 -5606 1516 -639 -1617 4129 SS 20230921T043735.6Z 8664.192773 51 1 49.61 2 80.43 84.07 119.00 145.06 0.00 1 0.00 1 0 25 3.452e-01 7.970e-03 3.056e-01 5.260e-03 7.135522e-01 2.893172e-03 6.965677e-03 -6.000000e+00 1.987248e-01 227.62 -2.00 3.06 -2.00 321.48 0.00e+00 6.803813e-03 1.454365e-03 4.222998e-03 -6.000000e+00 9.246523e-03 277.62 -2.00 20.00 -2.00 321.00 0.00e+00 5.744 0.001 302.00 328.00 3 2.2739e+00 9.9656e-03 6.3850e-02 -6.0000e+00 4.9512e-01 8.3696e-02 1.4971e-02 5.1731e-02 -6.0000e+00 5.4016e-01 -7.2472e-02 1.6936e-02 1.8970e-02 -6.0000e+00 3.1727e-01 1.8686e-02 7.9098e-03 1.0160e-02 -6.0000e+00 1.3699e-01 2.2868e-04 -1.2252e-03 1.4899e-04 7.2862e-05 -6.0000e+00 9.5272e-03 2.0230e-03 11 8 0 10 0 0 97.33 19.47 0.53 0.00202 -0.00718 66 14 4 8 0 751.560 14.99 19.47 16.06 21.79 21.58 25.4 845.52 900000 900000 900000 -94541 900000 -194844 900000 -160344 900000 -148318 -72285 -117702 57319 18376 29920 15409 -22655 9172 -35059 -5253 -25539 113464 -49591 -47457 -45513 4756 -83770 -32866 -11431 -13270 11229 42789 37195 -2140 33581 -19211 9466 -182 11184 -5658 459 1189 -6114 7991 393 13681 -5637 10544 -724 6469 -4426 3076 2210 732 689 6879 363 -3163 6917 -4543 -1661 1553 4664 477 526 684 1033 1247 1621 2733 -3203 1264 -1117 1656 -1386 4392 545 79 -2638 -38 -1878 -793 -2679 -499 -1052 -870 445 43 1008 -654 1159 853 1641 2554 1080 849 809 133 -603 153 143 957 1093 737 -1515 -1071 -1298 -1344 -934 274 -468 -704 371 -471 -53 1417 1389 144 -334 -488 -1111 327 226 -36 18 283 997 1726 596 -53 92 196 -35 298 -501 -717 209 721 -560 -313 -126 15 325 900000 900000 900000 -484 900000 -1361 900000 -1068 900000 -1064 -370 -784 294 94 153 79 -197 66 -431 -51 -314 581 -813 -827 -839 56 -2224 -573 -164 -218 178 614 667 -56 654 -573 257 -6 401 -287 25 69 -407 480 26 828 -431 722 -59 533 -458 334 268 98 98 961 56 -499 960 -698 -258 261 878 107 125 161 240 300 434 838 -1149 451 -402 545 -427 1144 139 21 -811 -14 -812 -389 -1472 -285 -643 -565 300 30 692 -438 712 492 906 1454 707 652 725 138 -689 174 152 897 929 630 -1422 -1058 -1355 -1505 -1149 376 -722 -1158 607 -752 -80 2014 1988 219 -539 -819 -1848 512 340 -52 26 382 1286 2313 920 -93 180 408 -70 635 -1153 -1741 514 1783 -1400 -749 -280 33 709 SS 20230921T044730.9Z 8664.199663 56 1 33.82 2 78.24 82.88 117.75 143.08 0.00 1 0.00 1 0 25 1.912e-01 6.480e-03 1.654e-01 2.949e-03 6.046173e-01 1.546375e-03 6.034016e-03 -6.000000e+00 1.084764e-01 227.62 -2.00 3.06 -2.00 320.82 0.00e+00 5.015141e-03 6.393556e-04 2.065142e-03 -6.000000e+00 4.712470e-03 277.62 -2.00 20.00 -2.00 320.29 0.00e+00 4.757 0.001 302.00 328.00 3 2.2289e+00 4.8320e-03 4.9553e-02 -6.0000e+00 2.6993e-01 6.3658e-02 6.3587e-03 3.4037e-02 -6.0000e+00 2.9360e-01 -4.2244e-02 6.5067e-03 1.4518e-02 -6.0000e+00 1.7438e-01 5.3880e-03 3.2187e-03 7.7316e-03 -6.0000e+00 7.3731e-02 5.7439e-04 -1.1921e-03 8.2768e-05 5.5016e-05 -6.0000e+00 5.1128e-03 1.6194e-03 12 9 1 12 1 1 99.87 19.47 0.26 0.00162 -0.00734 61 20 4 8 0 542.550 14.99 19.47 16.84 21.69 21.58 25.5 849.94 -122904 -37489 -40165 -42849 24466 -80133 -69748 -65684 -18126 -48908 -5832 7274 45131 -73131 -8420 -9628 -12258 -2112 -31827 -17079 -16896 -1291 -9261 -11979 -11726 -8056 -9473 -2868 -22144 -3956 -7322 -13879 5035 2185 -854 4715 3553 -1384 -3088 -263 -36 -1108 291 -2042 -1496 -853 -856 -1255 468 2714 2927 2136 808 1562 -178 2627 -971 222 1600 88 1677 1441 2338 993 1536 1329 2121 552 3127 559 213 -24 -1263 197 -551 269 810 83 1106 -418 -583 -786 -2828 -566 -1077 -1317 -532 -560 -363 5 970 866 1634 1222 1409 420 301 422 -35 -431 269 -12 914 633 -1735 -749 904 -655 -614 -213 -542 -553 -269 -2 586 1315 906 455 -234 -897 -544 -327 -55 -343 587 315 926 1472 351 247 -174 263 -196 355 -160 -262 -28 17 -489 -70 -23 -92 331 -1260 -201 -237 -253 70 -617 -524 -539 -105 -410 -34 42 231 -1494 -116 -161 -237 -41 -886 -437 -447 -29 -236 -339 -357 -247 -301 -84 -777 -127 -286 -687 239 114 -44 230 191 -93 -256 -25 -4 -128 35 -259 -192 -112 -115 -175 67 405 483 394 165 342 -42 623 -243 55 381 21 412 390 709 340 548 465 717 194 1177 247 103 -12 -641 94 -242 106 296 31 453 -204 -328 -500 -1981 -410 -832 -1081 -454 -491 -316 5 760 634 1143 878 1112 380 311 489 -44 -541 316 -12 898 630 -1883 -852 1056 -820 -828 -315 -868 -926 -448 -3 888 1904 1322 693 -378 -1506 -910 -528 -86 -522 858 446 1265 2057 548 425 -322 508 -393 746 -355 -607 -65 40 -1167 -161 -50 -194 676 SS 20230921T045436.5Z 8664.204589 59 1 50.96 2 76.68 82.02 116.82 141.71 0.00 1 0.00 1 0 25 9.244e-02 5.937e-03 3.870e-02 1.164e-03 5.431205e-01 6.006474e-04 5.424886e-03 -6.000000e+00 5.243622e-02 227.62 -2.00 3.06 -2.00 320.48 0.00e+00 3.778637e-03 2.216275e-04 1.167657e-03 -6.000000e+00 2.277930e-03 277.62 -2.00 20.00 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