File name: Pandora159s1_Wakkerstroom_20211112_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T034006.6Z 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 v1.8.75 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20211112_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: 20211112 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 20211112T045609.4Z 7986.205664 131 1 36.18 2 66.21 98.45 136.22 175.55 0.00 1 0.00 1 0 17 2.628e-01 4.321e-02 2.246e-01 2.914e-02 3.856553e-01 1.485365e-02 3.895901e-03 -6.000000e+00 1.497391e-01 228.23 -2.00 3.06 -2.00 318.61 0.00e+00 -4.101425e-04 2.942815e-03 1.073062e-04 -6.000000e+00 6.538614e-03 279.73 -2.00 20.00 -2.00 317.91 0.00e+00 2.461 0.000 302.00 328.00 3 7.1012e+00 4.0309e-02 2.6476e-02 -6.0000e+00 3.7289e-01 3.0373e-01 4.6149e-02 1.7101e-02 -6.0000e+00 4.0497e-01 -1.3116e-01 3.0304e-02 8.4816e-03 -6.0000e+00 2.4072e-01 3.6296e-02 1.5557e-02 2.4927e-03 -6.0000e+00 1.0207e-01 3.1124e-05 -1.9788e-03 8.2978e-04 2.5215e-05 -6.0000e+00 7.0249e-03 -1.2190e-02 12 9 9 12 1 1 99.93 19.13 2.77 -0.01219 -0.02706 8 3 2 8 0 4000.000 15.00 19.13 21.65 21.48 21.38 18.2 900.92 -432 -1179 105392 -29834 105413 -55609 137189 -10106 132594 -40425 36472 32318 17536 213 -23027 -11409 -17794 112991 -23050 33500 11728 36942 17 3096 -39698 46644 -274 28399 11102 -9554 2600 -10492 20246 -16373 14939 9073 3725 7613 18457 8687 3489 1639 -18137 9758 -1088 11504 -7214 16096 3858 16007 -2892 11324 3460 18061 5759 -4119 8228 -3077 12709 2919 8187 -5777 -274 -5679 -5448 3496 4975 -5435 6029 1722 -5339 219 -6801 3356 -3875 5195 -9738 11588 2591 553 -2509 -2797 411 2922 -3922 -4689 1300 -3186 1717 2707 631 -3728 1459 -3044 6210 -4842 -683 -982 1056 -3761 223 66 -873 -244 -7606 5367 25809 1629 -21 268 -2830 532 992 -259 403 2807 915 -3810 3001 -501 1816 -684 1357 -1305 413 -2162 1736 -5078 -3318 3308 -4326 1282 -806 1855 1626 4255 227 -212 -2067 -744 -985 466 -191 -25 -77 2995 -2504 2996 -5052 3899 -700 3768 -4410 1922 1825 1288 22 -3364 -1669 -2940 5587 -4364 3816 1674 4094 3 511 -10563 5644 -52 3856 1672 -1734 450 -2281 3579 -4297 2758 1704 784 1789 4696 2840 1323 666 -9188 3794 -465 4358 -3233 5666 1521 5661 -1303 4813 1691 8097 3017 -2429 4388 -1825 6298 1558 4206 -3629 -178 -4203 -4103 2285 2991 -3525 3717 1251 -4557 185 -6124 2631 -3018 3332 -6498 6022 1535 377 -2000 -2491 382 2772 -4205 -5406 1486 -3922 2017 3035 672 -3805 1304 -2774 5469 -5277 -796 -1281 1447 -5395 290 78 -969 -271 -9757 6436 26513 2202 -31 416 -4861 912 1662 -413 591 3770 1237 -5572 4373 -798 2873 -1086 2048 -1943 576 -2961 2170 -6765 -4672 4759 -7132 2072 -1359 3165 2930 7867 448 -427 -4235 -1470 -1867 829 -330 SS 20211112T052615.2Z 7986.226565 147 1 48.04 2 59.57 95.41 135.28 165.78 0.00 1 0.00 1 0 17 1.934e-01 4.491e-02 1.602e-01 2.838e-02 2.744666e-01 1.435623e-02 2.923494e-03 -6.000000e+00 1.099971e-01 228.23 -2.00 3.06 -2.00 317.87 0.00e+00 7.748701e-04 2.298268e-03 3.298655e-04 -6.000000e+00 4.808270e-03 279.73 -2.00 20.00 -2.00 317.16 0.00e+00 1.967 0.000 302.00 328.00 3 7.7117e+00 3.8286e-02 2.0336e-02 -6.0000e+00 2.7392e-01 1.5086e-01 4.3276e-02 1.2570e-02 -6.0000e+00 2.9764e-01 -1.5285e-02 2.6953e-02 6.1109e-03 -6.0000e+00 1.7691e-01 -1.3234e-02 1.3619e-02 1.7921e-03 -6.0000e+00 7.4891e-02 3.1449e-05 -1.6363e-03 8.2330e-04 1.9857e-05 -6.0000e+00 5.1700e-03 -2.0969e-03 12 9 8 11 8 0 91.68 19.14 3.13 -0.00210 -0.01439 12 3 2 8 0 4000.000 15.00 19.14 21.93 21.48 21.38 18.2 901.56 85468 -17041 99863 2264 41349 74275 67326 -12093 31156 -828 -8668 105026 3190 14821 8291 32198 25504 10353 -26767 32530 -21582 7853 -6636 3828 -8604 -10071 -3063 9697 13174 6750 27351 -3582 -12874 -3360 1511 3293 -5709 20200 -11381 -3059 -8194 2142 406 7335 9550 4163 -4626 10094 3654 1053 -7134 6173 -4163 8470 3854 -2520 11269 -7041 4208 -2508 8897 -11991 3442 733 987 2421 2899 -4924 2181 -3822 -10734 4210 797 -400 398 4844 -4497 1213 346 -3311 1140 -3457 2001 -780 6091 -5966 4542 563 -2684 -1771 363 -2167 -1052 -1093 4101 -3153 1891 3926 2042 2962 -2091 2370 -5989 2358 -3899 -1593 33609 832 -1267 -405 -283 -1111 -29 2537 425 -975 763 -4558 919 -87 -2688 -1897 1898 -1623 446 -1679 -2827 3729 -2660 563 -4531 -1881 -2502 4202 -2124 2647 3826 1603 275 -1913 1809 -1958 770 3472 -2027 3960 215 2424 3030 3079 -1322 2505 -94 -1055 4414 395 1892 1289 4360 3867 1878 -7220 5148 -5867 1586 -1570 858 -2298 -2826 -799 2114 2601 1398 4894 -939 -3983 -975 395 819 -1667 5342 -4890 -1407 -4318 1070 212 3613 4582 2102 -2501 4610 1749 516 -3987 3255 -2564 4846 2366 -1680 6676 -4954 2606 -1641 5353 -9439 2525 589 792 1779 1956 -3479 1523 -3208 -10518 3720 726 -354 327 3439 -3148 761 228 -2530 938 -3270 1912 -801 6244 -7351 5316 706 -3476 -2201 410 -2282 -1002 -1006 3790 -3440 2179 4883 2757 3919 -2732 2713 -6992 2607 -4951 -2092 32815 1160 -1893 -640 -471 -1897 -48 3785 592 -1292 983 -6443 1314 -133 -4334 -3008 2812 -2399 615 -2251 -3637 4469 -3625 800 -7110 -2951 -4010 6561 -3721 4658 6828 2984 523 -3649 3192 -3439 1286 SS 20211112T055914.5Z 7986.249474 163 1 0.84 2 52.26 91.94 133.06 155.71 0.00 1 0.00 1 0 17 1.022e-02 7.848e-03 4.117e-03 2.543e-03 2.140987e-01 1.292286e-03 2.295061e-03 -6.000000e+00 5.812438e-03 228.23 -2.00 3.06 -2.00 315.41 0.00e+00 1.972119e-04 1.192766e-04 2.894291e-05 -6.000000e+00 2.540824e-04 279.73 -2.00 20.00 -2.00 314.82 0.00e+00 1.630 0.000 302.00 328.00 3 1.9300e+00 3.3297e-03 1.6411e-02 -6.0000e+00 1.4474e-02 1.7917e-02 3.7091e-03 9.6199e-03 -6.0000e+00 1.5728e-02 -5.8283e-03 2.1244e-03 4.7339e-03 -6.0000e+00 9.3484e-03 -5.8845e-04 9.5308e-04 1.3336e-03 -6.0000e+00 3.9573e-03 1.5866e-02 -3.6243e-04 7.0813e-05 1.6823e-05 -6.0000e+00 2.7320e-04 -1.8737e-03 12 9 1 12 1 1 81.94 19.15 0.19 -0.00187 -0.00460 5 96 1 8 0 109.760 15.01 19.15 22.36 21.48 21.48 18.2 904.43 -1721 -2407 -2952 -4460 -810 -204 1390 1998 146 -1200 -215 1478 476 1407 -32 -275 186 449 167 568 -10 1273 1575 101 404 -234 -421 -107 1372 1440 1407 2401 537 -1881 35 4 398 1181 -46 -1010 -1295 -1103 -1459 -913 -509 -1114 -1358 -526 -687 1195 818 981 611 470 -164 882 390 529 816 1182 1105 1593 1007 569 -499 396 5 1052 2001 113 -336 -698 -794 -209 -369 624 277 612 993 -481 -647 -1611 -2271 -871 -1139 -1317 -695 -1099 -437 -383 315 552 1046 2109 1057 840 942 413 -890 -532 -343 117 1071 353 -978 -533 -690 -448 -147 -33 -329 -329 65 223 442 979 786 862 367 -630 -597 -257 -100 97 726 461 1187 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