File name: Pandora159s1_Wakkerstroom_20210621_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T031137.4Z 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_20210621_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: 20210621 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 20210621T051532.1Z 7842.219122 101 1 48.45 2 85.60 60.73 136.27 208.92 0.00 1 0.00 1 0 25 7.081e-01 5.844e-02 4.994e-01 4.716e-02 9.795829e-01 2.815008e-02 9.640894e-03 -6.000000e+00 4.131636e-01 224.78 -2.00 3.06 -2.00 322.27 0.00e+00 -5.838908e-03 1.175982e-02 2.001056e-03 -6.000000e+00 2.047213e-02 277.19 -2.00 20.00 -2.00 321.80 0.00e+00 10.816 0.008 302.00 328.00 3 5.7413e-01 9.7518e-02 9.9355e-02 -6.0000e+00 1.0304e+00 1.8459e+00 1.1485e-01 5.1085e-02 -6.0000e+00 1.1369e+00 -2.2241e+00 7.8219e-02 2.2725e-02 -6.0000e+00 6.6589e-01 8.6082e-01 4.3609e-02 9.1323e-03 -6.0000e+00 2.7735e-01 1.4994e-05 -3.5518e-03 1.2870e-03 1.1445e-04 -6.0000e+00 1.9812e-02 5.0682e-03 12 8 8 10 0 0 -51.83 18.22 1.10 0.00507 -0.02162 23 5 4 8 0 2106.150 14.99 18.22 2.65 20.77 20.77 16.0 809.63 91174 900000 900000 113733 129771 9395 81325 72443 900000 -26441 79099 -9666 900000 52902 900000 900000 6750 6286 72084 900000 -74260 900000 -13797 900000 900000 900000 -36445 900000 -84187 43930 30759 2207 900000 900000 900000 -58284 15453 10057 159856 78208 28879 14678 71228 -35040 329255 46974 21737 50943 -46595 330340 39726 900000 15991 223725 118079 28870 299985 -11257 56301 37534 94636 -12159 181773 1976 115798 202 48574 46014 40411 53441 55973 117002 -6359 53359 9073 9471 12902 -23220 -14989 9694 12959 2997 -5165 6455 10544 6759 9408 -10923 42972 -24502 4764 1470 -3764 12463 -14850 -8563 11293 -2695 -4055 4592 -4148 967 -10590 11145 -11429 12613 -12583 -2722 -7802 3632 1782 5121 -4823 -3786 9434 -3258 7493 -9556 3421 2174 1977 3301 1770 5905 -1892 7555 -4788 3390 -3132 1513 -2963 4627 -2468 3798 -1464 833 -1393 245 364 -2080 1009 -2542 2847 4823 900000 900000 5214 5949 563 3728 3321 900000 -2238 3626 -682 900000 2612 900000 900000 666 621 3559 900000 -13356 900000 -1168 900000 900000 900000 -3727 900000 -10688 2014 1410 156 900000 900000 900000 -6783 872 674 7328 3884 2342 1398 4082 -5066 15094 2871 1661 2919 -6737 15144 3035 900000 1692 10256 5413 3309 13753 -1707 4302 3155 4339 -1719 8333 309 6193 34 5010 5098 5249 6942 7698 8940 -1603 6727 1560 1411 1725 -4613 -3149 1926 2970 882 -1835 2170 3585 2505 3522 -5091 11492 -12263 1656 500 -1337 4047 -7375 -4776 6126 -1967 -3088 3544 -3280 643 -6999 5791 -7947 7324 -9951 -2121 -7243 3525 2042 6280 -6818 -5294 11209 -4269 8903 -14128 4692 3107 2750 4263 2211 6903 -2327 8226 -5743 3989 -4630 2526 -5886 9350 -5761 8996 -3944 2314 -4022 701 1030 -5729 2472 -5886 5907 SS 20210621T052957.8Z 7842.229141 104 1 49.99 2 82.83 58.91 137.59 204.41 0.00 1 0.00 1 0 25 5.792e-01 9.982e-03 2.475e-01 4.295e-03 7.698195e-01 2.396771e-03 7.368128e-03 -6.000000e+00 3.289165e-01 224.78 -2.00 3.06 -2.00 321.81 0.00e+00 4.712026e-03 1.302071e-03 3.457418e-03 -6.000000e+00 1.573342e-02 277.19 -2.00 20.00 -2.00 321.34 0.00e+00 7.400 0.002 302.00 328.00 3 4.1744e-01 8.7244e-03 7.3309e-02 -6.0000e+00 8.1687e-01 2.0044e-01 1.3350e-02 4.8555e-02 -6.0000e+00 8.9240e-01 -2.1612e-01 1.5140e-02 2.1462e-02 -6.0000e+00 5.2566e-01 7.4617e-02 6.9782e-03 8.3069e-03 -6.0000e+00 2.2300e-01 3.9725e-04 -1.2537e-03 1.2279e-04 8.3182e-05 -6.0000e+00 1.5870e-02 4.3066e-03 12 8 8 10 0 0 17.57 18.21 0.38 0.00431 -0.00511 174 37 4 8 0 283.980 14.98 18.21 4.23 20.77 20.77 15.9 818.08 -196814 -101607 -218447 -229726 -62499 -268651 900000 -250360 900000 -172719 900000 -220529 900000 -78327 -78866 -53049 -27699 -35622 -78457 900000 -80634 900000 -84857 85404 -57776 10070 -57473 -38920 -55167 -25691 4979 -27899 21899 -25518 26168 -41359 66657 -29054 29144 1372 12013 -10718 3792 -6604 264 19491 5452 13194 -4097 24974 236 18223 3018 6668 7241 3203 3063 -2043 9084 2302 14514 1064 9154 767 5972 1503 1633 2839 3893 3080 -529 4055 -34 4866 -2561 2140 -591 3137 429 561 614 -978 -1729 -1936 -344 -2282 -562 -1378 1155 -1578 1580 -1142 2165 -230 -259 808 -640 101 -997 1036 -1174 1123 161 1170 -2449 -1190 -136 -1342 -708 -548 -339 -862 192 122 904 628 1432 331 240 -948 -451 126 -127 112 43 1081 615 2184 -70 419 -48 420 -12 206 -304 -401 167 -175 -251 -496 397 -395 482 -973 -425 -1745 -2010 -261 -3167 900000 -3047 900000 -1182 900000 -3103 900000 -477 -630 -404 -190 -298 -1104 900000 -1257 900000 -1452 357 -901 93 -962 -533 -902 -387 69 -605 341 -689 408 -1258 837 -1039 720 54 480 -583 189 -377 14 904 303 718 -284 1415 19 1421 304 710 818 395 389 -271 1043 278 1606 151 1386 145 1145 300 325 587 896 828 -163 1239 -11 1353 -693 495 -133 706 114 180 234 -437 -859 -1025 -175 -1260 -320 -813 721 -972 881 -616 1102 -126 -163 593 -512 92 -1015 1038 -1122 931 133 959 -2237 -1136 -135 -1340 -781 -689 -477 -1309 292 181 1265 849 1937 474 364 -1508 -700 185 -179 152 56 1487 823 3042 -106 720 -93 861 -27 480 -762 -1059 446 -477 -682 -1290 954 -891 1039 SS 20210621T053613.9Z 7842.233495 107 1 51.05 2 81.64 58.09 138.10 202.37 0.00 1 0.00 1 0 25 4.231e-01 7.494e-03 1.430e-01 2.363e-03 6.890724e-01 1.263284e-03 6.743503e-03 -6.000000e+00 2.374323e-01 224.78 -2.00 3.06 -2.00 321.46 0.00e+00 4.973381e-03 6.252319e-04 3.307882e-03 -6.000000e+00 1.040637e-02 277.19 -2.00 20.00 -2.00 320.97 0.00e+00 6.481 0.002 302.00 328.00 3 3.1046e-01 4.3083e-03 6.4908e-02 -6.0000e+00 5.8708e-01 1.1138e-01 6.2581e-03 4.3969e-02 -6.0000e+00 6.3998e-01 -8.7450e-02 6.9221e-03 1.7912e-02 -6.0000e+00 3.8085e-01 2.0949e-02 3.2698e-03 8.1090e-03 -6.0000e+00 1.6187e-01 9.7051e-04 -1.1610e-03 6.6243e-05 6.7401e-05 -6.0000e+00 1.1306e-02 4.0596e-03 11 8 0 10 0 0 5.17 18.20 0.27 0.00406 -0.00466 287 62 2 8 0 171.870 14.99 18.20 4.93 20.77 20.77 16.1 822.91 -132030 -170887 -64632 -122806 -180005 -152146 -154249 -126592 -160005 -121090 -103084 -54038 -85552 -66440 -53860 -47562 -33096 -38460 -20243 -19832 -27768 -41719 -23771 -34793 -14298 -30598 -10812 -26281 -23800 -15660 -8796 -14702 5700 -15212 -8414 4392 -2417 4299 -3483 5123 -1300 209 -5173 -853 88 3896 5277 6986 2880 3744 8258 4896 3039 3894 2365 1098 569 -129 467 991 3062 4208 2218 3591 3 2760 816 2641 2644 1048 -667 34 -1395 -249 -72 -389 -34 -74 1168 -333 198 -1006 -1912 -1363 -606 -1361 -1096 -270 -259 351 605 724 688 1445 663 255 668 13 -682 -44 -117 47 1141 -13 -1701 -1596 3887 -1317 -424 -442 -438 -448 -87 351 564 1380 638 575 -378 -943 -612 -249 -300 -362 615 35 1089 1186 117 -25 240 152 216 333 -318 -387 49 -9 -498 -51 170 -56 259 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