File name: Pandora159s1_Wakkerstroom_20230824_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20230825T094355.1Z 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_20230824_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: 20230824 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 20230824T054008.7Z 8636.236212 56 1 49.49 2 74.16 68.06 122.28 145.34 0.00 1 0.00 1 0 25 2.105e-01 9.893e-03 1.571e-01 7.372e-03 4.394445e-01 3.762213e-03 4.507210e-03 -6.000000e+00 1.189388e-01 226.67 -2.00 3.06 -2.00 320.15 0.00e+00 1.779434e-03 1.197411e-03 6.186380e-04 -6.000000e+00 5.169052e-03 276.83 -2.00 20.00 -2.00 319.56 0.00e+00 3.603 0.000 302.00 328.00 3 4.3329e+00 1.0961e-02 3.5602e-02 -6.0000e+00 2.9539e-01 1.1905e-02 1.3200e-02 2.0824e-02 -6.0000e+00 3.2160e-01 -2.1366e-02 1.1314e-02 1.0094e-02 -6.0000e+00 1.9107e-01 5.4067e-03 5.8515e-03 3.4044e-03 -6.0000e+00 8.0851e-02 2.1566e-04 -9.7731e-04 2.1866e-04 3.5153e-05 -6.0000e+00 5.6269e-03 4.6845e-03 12 8 8 10 0 0 99.99 18.81 0.46 0.00468 -0.00266 105 23 4 8 0 471.190 15.00 18.81 10.85 21.17 21.06 25.1 821.51 -37325 199652 -55095 19824 -9484 25872 -6739 -36695 34529 -26360 25283 -54280 40140 -45241 -388 -23484 7674 -4661 3579 -7541 378 40433 -7161 15841 -15835 1585 -13226 8425 -4656 15564 1218 15450 9253 -2114 1455 -9011 9335 -9175 4451 -2253 161 -5690 143 -2782 6119 -2283 3507 -116 -3768 1317 -251 3573 -2237 5396 1794 1967 -247 1118 -2443 1918 1612 -25 2767 -2147 887 2031 3027 -251 3152 -12 611 306 -155 1246 -777 640 -1099 2659 501 995 -2339 901 -1753 -15 -1410 -1105 -711 -716 116 -532 1292 714 1776 1543 1842 -590 683 -302 -738 -1407 -835 845 657 370 -1315 -370 -1413 23 -345 -303 -526 -238 106 412 646 506 1741 210 679 -1851 -224 -595 -53 -510 837 923 1544 1803 653 761 -387 643 -262 738 -123 -585 -68 330 -707 -345 -256 -265 401 -769 1435 -1567 270 -155 297 -112 -920 497 -706 428 -2081 755 -2283 -15 -1305 346 -252 190 -465 22 1640 -467 896 -1289 115 -1101 548 -333 952 95 1200 845 -225 142 -962 920 -1270 652 -411 32 -1259 31 -633 1289 -530 772 -27 -904 312 -66 984 -698 1673 602 681 -89 397 -877 656 573 -10 1170 -1041 426 918 1293 -111 1465 -7 364 191 -96 729 -430 314 -506 1162 242 550 -1527 635 -1369 -12 -1231 -1028 -695 -720 115 -515 1146 588 1359 1183 1534 -566 731 -365 -956 -1819 -1006 914 667 386 -1504 -444 -1795 30 -489 -467 -871 -407 178 652 950 709 2409 309 1056 -3099 -373 -970 -83 -781 1215 1286 2039 2424 970 1238 -682 1162 -492 1443 -256 -1288 -152 752 -1628 -771 -545 -541 790 SS 20230824T060753.9Z 8636.255485 67 1 2.57 2 68.53 64.03 118.63 139.63 0.00 1 0.00 1 0 25 4.657e-02 1.208e-02 4.672e-02 9.649e-03 3.360505e-01 4.797368e-03 3.535534e-03 -6.000000e+00 2.632332e-02 226.67 -2.00 3.06 -2.00 318.02 0.00e+00 -7.099952e-04 8.338748e-04 2.201125e-04 -6.000000e+00 1.143867e-03 276.83 -2.00 20.00 -2.00 317.39 0.00e+00 2.708 0.000 302.00 328.00 3 2.9690e+00 1.2811e-02 2.6695e-02 -6.0000e+00 6.5377e-02 1.9747e-03 1.4513e-02 1.5186e-02 -6.0000e+00 7.1167e-02 -9.1072e-03 9.3643e-03 7.4572e-03 -6.0000e+00 4.2281e-02 1.7868e-03 4.8301e-03 2.2036e-03 -6.0000e+00 1.7901e-02 1.9779e-03 -3.2783e-04 2.7261e-04 2.3432e-05 -6.0000e+00 1.2448e-03 1.5865e-03 12 9 9 12 1 1 999.00 18.81 0.41 0.00159 -0.00088 1 9 3 8 0 1195.030 15.00 18.81 12.89 21.17 21.06 25.2 831.09 149 -12291 -864 30763 -9070 -269 -23924 -885 2724 -13779 7837 -5542 -3514 11876 -5079 -5450 9546 -192 7580 -9918 -2751 993 -4855 -2445 -4464 9160 -832 5218 651 1398 -5138 3761 -2009 221 -191 -2598 3815 -2461 -1121 -1876 -974 -1908 -2064 -3862 -11 -597 3284 -1003 -1017 -116 1681 5344 1830 1410 651 2770 -1214 3635 167 1581 1090 631 3033 1454 610 1399 192 -327 1036 647 -1892 -621 -19 -723 -156 1082 -389 2635 1425 -113 -1529 -533 -1386 -1481 -1863 -1092 -745 -2044 1083 -332 -450 525 -271 1957 1678 1147 50 149 -1161 -1342 -1430 -101 917 1166 -938 -973 -2573 380 117 667 -803 109 65 609 315 947 2016 1208 170 -840 -157 -374 -949 50 1389 629 1488 2997 -258 234 -338 462 406 -241 -1092 -835 254 1338 -488 -200 -202 -882 -414 9 -956 -62 1542 -598 -16 -1903 -65 215 -1336 623 -524 -371 1259 -723 -857 1385 -32 1225 -1945 -516 180 -958 -503 -998 1889 -187 1053 130 277 -1162 859 -525 58 -48 -656 991 -782 -416 -800 -446 -916 -1019 -1949 -5 -295 1555 -485 -490 -57 853 2815 1043 845 404 1731 -796 2289 106 990 702 432 2186 1120 474 1030 136 -230 766 529 -1684 -563 -17 -635 -130 823 -278 1794 1027 -91 -1362 -507 -1394 -1547 -2041 -1250 -881 -2493 1292 -390 -503 549 -270 1902 1715 1267 60 192 -1575 -1805 -1847 -122 1055 1369 -1180 -1272 -3509 524 167 1000 -1265 173 101 910 447 1292 2729 1692 250 -1293 -244 -574 -1434 73 1964 866 1975 3970 -367 350 -526 730 652 -399 -1883 -1486 456 2419 -893 -360 -354 -1513 -699 SS 20230824T061304.8Z 8636.259083 69 1 51.52 2 67.49 63.23 117.90 138.63 0.00 1 0.00 1 0 25 1.128e-02 6.611e-03 2.705e-03 4.810e-04 3.189070e-01 2.403011e-04 3.368190e-03 -6.000000e+00 6.373245e-03 226.67 -2.00 3.06 -2.00 318.43 0.00e+00 4.699606e-04 4.603392e-05 1.603879e-04 -6.000000e+00 2.769578e-04 276.83 -2.00 20.00 -2.00 317.79 0.00e+00 2.592 0.000 302.00 328.00 3 1.4603e+00 6.4814e-04 2.5521e-02 -6.0000e+00 1.5829e-02 -9.6027e-04 7.3621e-04 1.4467e-02 -6.0000e+00 1.7231e-02 -6.7779e-03 4.9340e-04 7.1332e-03 -6.0000e+00 1.0237e-02 -2.0287e-03 2.5740e-04 2.0662e-03 -6.0000e+00 4.3335e-03 1.0038e-02 -5.4726e-04 1.3936e-05 2.2749e-05 -6.0000e+00 3.0142e-04 2.5515e-03 11 8 0 10 0 0 97.72 18.81 0.25 0.00255 -0.00156 585 126 2 8 0 84.040 15.00 18.81 13.34 21.17 21.06 25.3 834.51 -2573 -2153 -4597 -4037 -2898 -1921 595 117 -436 -3204 -2149 -633 -439 -461 -172 -2164 -616 -733 -216 100 -805 789 693 -17 -181 -410 -1842 -586 -32 2183 1475 2174 995 -2019 -572 124 -412 18 46 -1532 -1737 -1267 -1085 -1128 -295 -1015 -383 -222 -500 1074 699 671 1024 685 357 1231 255 593 690 1191 1617 1331 1348 572 -545 502 401 931 1821 174 -15 -359 -340 -86 -340 507 519 1100 1194 -202 -592 -1170 -2056 -919 -998 -896 -525 -533 -283 -288 592 446 1196 1838 1395 691 780 130 -845 -626 -413 -189 811 673 -1177 -766 -744 -671 -70 -68 -281 -338 -51 162 501 1145 835 597 147 -738 -773 -261 -187 -36 750 373 1291 1685 595 350 98 7 76 449 -248 -297 33 -43 -535 -230 -102 -286 101 -141 -129 -290 -238 -151 -105 34 7 -29 -231 -153 -47 -37 -45 -20 -279 -83 -103 -32 15 -126 121 109 -3 -33 -77 -350 -104 -5 354 260 421 214 -459 -121 26 -93 5 15 -584 -728 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