File name: Pandora159s1_Wakkerstroom_20210505_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T025806.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210505_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: 20210505 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 20210505T045510.7Z 7795.204985 174 1 49.45 2 84.95 68.70 14.07 34.92 0.00 1 0.00 1 0 33 1.448e+00 5.375e-02 4.431e-01 2.147e-02 8.689979e-01 1.323368e-02 8.594481e-03 -6.000000e+00 8.456725e-01 225.35 -2.00 3.06 -2.00 322.23 0.00e+00 3.657011e-02 8.065732e-03 1.526291e-02 -6.000000e+00 5.058835e-02 279.41 -2.00 20.00 -2.00 321.76 0.00e+00 9.797 0.006 302.00 328.00 3 3.1740e-01 5.2430e-02 1.3861e-01 -6.0000e+00 2.1297e+00 2.1636e+00 5.8694e-02 1.5029e-01 -6.0000e+00 2.3451e+00 -2.7987e+00 3.6652e-02 3.6947e-02 -6.0000e+00 1.3673e+00 1.1293e+00 2.0641e-02 1.9497e-02 -6.0000e+00 5.8500e-01 4.0609e-05 -5.5607e-03 6.3395e-04 1.0649e-04 -6.0000e+00 4.2880e-02 4.0300e-03 12 8 8 10 0 0 15.46 18.57 0.70 0.00403 -0.03776 48 10 4 8 0 1030.030 15.16 18.57 7.16 21.06 21.06 16.1 835.77 536039 540686 900000 900000 900000 401175 900000 411498 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 230325 352374 274428 900000 -44040 224813 240223 234002 234191 900000 900000 208556 900000 900000 900000 297051 178673 109064 900000 231046 171899 335570 119488 149522 118303 900000 154415 117982 161326 226830 143852 380960 118132 204022 284557 208340 93351 95086 119607 85352 82976 64335 93145 102140 143161 78034 56231 77377 70185 42550 46927 36222 53972 44027 31418 7625 18270 40418 25588 34846 1091 12598 14730 5533 8513 -3053 5254 -811 2708 -1220 762 -3601 517 -1457 -262 -4754 -7732 -4839 -3059 -6554 -6776 -4103 -2567 3259 1207 -4886 -7973 -2402 -7448 -7433 -5657 -3361 -3209 -1073 -2685 -2330 948 -1570 -3335 200 602 669 2122 2637 3647 2874 5373 3669 4580 4392 410 2563 1432 2158 2118 963 -267 -359 -204 -1113 -436 483 894 -1995 -3648 11170 11266 900000 900000 900000 8359 900000 8574 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 13089 7343 7798 900000 -18124 5536 5006 4876 4880 900000 900000 4346 900000 900000 900000 6190 5754 5991 900000 4814 4884 6992 5885 5382 5827 900000 5265 5811 5195 4727 5722 7938 6490 5527 5929 5644 7073 6664 6117 5659 5187 4631 5117 5611 6563 7095 6817 7475 7046 5642 6311 6038 8077 7339 5654 1574 2976 4594 3102 3961 200 2530 3460 1635 2677 -1128 1861 -319 1072 -516 315 -1501 193 -516 -88 -1747 -3369 -2475 -1854 -4879 -5725 -3490 -2037 2167 720 -2980 -5316 -1615 -5587 -6068 -5101 -3445 -3788 -1365 -3600 -3089 1174 -1936 -4240 259 831 963 2970 3492 4559 3523 6239 4218 5075 5108 577 4166 2672 4370 4578 2254 -678 -961 -557 -3086 -1197 1260 2147 -4519 -7884 SS 20210505T050900.4Z 7795.214588 177 1 50.82 2 82.11 66.98 12.66 22.09 0.00 1 0.00 1 0 25 4.301e-01 7.346e-03 2.174e-01 2.942e-03 6.940104e-01 1.587119e-03 6.673854e-03 -6.000000e+00 2.419470e-01 225.35 -2.00 3.06 -2.00 321.54 0.00e+00 4.714633e-03 8.275399e-04 2.802774e-03 -6.000000e+00 1.073564e-02 279.40 -2.00 20.00 -2.00 321.03 0.00e+00 6.815 0.002 302.00 328.00 3 4.0909e-01 5.5829e-03 6.6505e-02 -6.0000e+00 5.9853e-01 9.4968e-02 8.2417e-03 4.2381e-02 -6.0000e+00 6.5213e-01 -8.4890e-02 9.0797e-03 1.8016e-02 -6.0000e+00 3.8840e-01 1.9101e-02 4.2364e-03 8.6988e-03 -6.0000e+00 1.6640e-01 6.9395e-04 -9.4278e-04 8.2600e-05 6.8648e-05 -6.0000e+00 1.1564e-02 3.3728e-03 11 8 0 10 0 0 7.61 18.60 0.32 0.00337 -0.00371 241 52 2 8 0 204.890 15.02 18.60 9.09 21.06 21.06 16.1 846.47 900000 -221430 -86298 -181560 75144 -227812 -104316 -170715 -126003 -112941 -77366 30257 -93095 -34215 -34748 2097 -40957 28121 -52435 -27972 -20466 19556 -48072 -10128 -23500 -29460 -13869 -43606 -502 -37203 -1392 -21387 16112 -12101 1903 -20736 4835 -2848 -3605 -2533 -2947 6018 -6921 9090 -2005 7026 509 11597 3835 3293 2904 4573 8158 653 4754 699 5009 -191 3646 -2186 6314 2304 6065 2723 638 1321 1019 3026 2101 509 -300 320 -1511 1447 -1060 160 802 253 -158 -85 60 -1686 -1265 -1557 -1173 -1657 94 -1296 55 -540 580 281 584 1371 517 966 592 501 -746 -1 3 641 868 118 -1568 -1577 2275 -1104 -53 -600 -312 -825 207 79 600 972 909 551 -150 -757 -685 18 -292 -177 187 254 891 1536 -11 -6 49 196 194 103 -264 -350 214 -316 -178 -219 268 -105 310 900000 -2252 -272 -1458 216 -2436 -389 -1420 -759 -648 -333 87 -721 -196 -259 13 -458 177 -812 -361 -252 163 -827 -131 -377 -532 -219 -913 -7 -822 -26 -607 370 -360 52 -649 143 -99 -157 -131 -173 350 -485 562 -142 469 38 804 305 286 285 498 949 89 664 107 752 -30 537 -337 930 394 1151 607 154 312 239 726 569 162 -106 117 -556 486 -332 44 208 68 -48 -31 26 -850 -697 -915 -733 -1109 65 -935 39 -370 367 167 335 812 350 761 545 531 -800 -1 4 617 760 105 -1527 -1626 2383 -1284 -67 -794 -459 -1294 323 119 853 1321 1247 796 -231 -1221 -1088 27 -426 -272 276 361 1218 2189 -19 -9 92 396 413 233 -644 -899 559 -843 -474 -560 639 -234 669 SS 20210505T051513.8Z 7795.218909 180 1 51.50 2 80.84 66.18 12.23 15.54 0.00 1 0.00 1 0 25 2.899e-01 6.301e-03 9.287e-02 1.749e-03 6.208316e-01 9.302809e-04 6.128562e-03 -6.000000e+00 1.630392e-01 225.35 -2.00 3.06 -2.00 321.19 0.00e+00 2.655289e-03 4.350751e-04 1.886823e-03 -6.000000e+00 7.195439e-03 279.40 -2.00 20.00 -2.00 320.64 0.00e+00 5.975 0.001 302.00 328.00 3 3.7078e-01 3.1028e-03 5.7263e-02 -6.0000e+00 4.0335e-01 3.8497e-02 4.2618e-03 3.3318e-02 -6.0000e+00 4.3933e-01 -2.8559e-02 4.4660e-03 1.5319e-02 -6.0000e+00 2.6167e-01 -9.4183e-05 2.1495e-03 6.0139e-03 -6.0000e+00 1.1132e-01 1.4984e-03 -8.2662e-04 5.0304e-05 5.6276e-05 -6.0000e+00 7.7471e-03 3.2029e-03 10 0 0 10 0 0 19.33 18.59 0.29 0.00320 -0.00301 367 79 2 8 0 134.440 15.01 18.59 9.91 21.06 21.06 16.2 850.41 -130054 -49072 -121581 -68066 -135485 -89615 -105106 -101900 -77319 -76119 -31869 -71088 -38806 -42043 -8604 -44535 -11621 -19232 327 -32607 -21323 -23834 -24193 -13918 -16171 -5870 -15296 -7268 -16122 -1021 -11870 1917 1612 -2358 -2603 -2503 -1942 -1991 373 -2467 -1094 -4311 -542 -672 3550 -2045 1221 511 1716 3216 2127 3759 3167 3153 97 1977 -751 680 617 737 1818 2124 2905 916 556 319 2050 766 2139 -39 370 -49 91 -403 -546 872 22 1355 203 71 -208 -556 -2079 -1008 -1094 -886 -257 -572 85 -53 1028 403 1210 1117 1307 395 759 175 -283 -266 14 -17 1095 457 -1608 -774 -1336 -450 -342 -112 -589 -301 32 200 555 1310 894 508 -37 -907 -701 -237 -32 -205 330 186 1345 1619 213 197 44 163 -43 334 -384 -384 14 35 -597 -60 -6 76 440 -931 -184 -1016 -325 -1178 -489 -735 -799 -541 -571 -163 -618 -311 -452 -84 -744 -159 -315 5 -706 -425 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