File name: Pandora159s1_Wakkerstroom_20210510_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T025801.5Z 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_20210510_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: 20210510 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 20210510T045532.2Z 7800.205234 40 1 49.05 2 85.51 67.44 68.89 66.11 0.00 1 0.00 1 0 25 5.565e-01 3.076e-02 4.717e-01 2.719e-02 9.777465e-01 1.690624e-02 1.070019e-02 -6.000000e+00 3.264996e-01 225.16 -2.00 3.06 -2.00 322.53 0.00e+00 -1.874138e-03 1.006359e-02 1.695708e-02 -6.000000e+00 1.636801e-02 279.10 -2.00 20.00 -2.00 322.12 0.00e+00 10.663 0.007 302.00 328.00 3 1.3462e-01 6.8954e-02 1.3475e-01 -6.0000e+00 8.0984e-01 1.4468e+00 8.6345e-02 1.2292e-01 -6.0000e+00 8.9151e-01 -1.9435e+00 6.6141e-02 4.5172e-02 -6.0000e+00 5.2838e-01 7.8877e-01 3.2371e-02 7.4259e-03 -6.0000e+00 2.2597e-01 3.0504e-05 -3.1925e-03 7.9364e-04 3.2007e-04 -6.0000e+00 1.6360e-02 4.8484e-03 12 8 8 10 0 0 32.96 18.50 0.76 0.00485 -0.01914 46 10 4 8 0 1066.030 14.97 18.50 6.40 20.96 20.96 16.0 831.29 900000 -15121 900000 187851 900000 -104813 -121757 -72820 -40084 43252 -19845 31503 900000 900000 900000 900000 64634 900000 25302 900000 12390 900000 132235 -29423 900000 68777 900000 -41006 900000 143954 900000 -62579 900000 900000 222008 -148 900000 900000 67218 900000 119166 900000 47273 900000 76781 900000 65580 75227 141614 2948 53601 155824 67507 184440 20062 49946 78344 22629 119415 -24873 11058 52134 28987 106333 52491 44056 3921 44645 11834 49053 25063 40335 17247 21365 10300 -21596 36152 10643 8564 12646 11469 2614 -37 -10813 12068 749 -1864 -406 -5064 177 4033 17268 2703 10398 -6054 9260 -1911 2922 -6573 -1903 -308 -3011 -638 -626 -7953 -4817 -3764 -4517 -186 -4185 -4310 -3192 1612 -1801 1643 -313 -1872 626 -2689 843 517 4679 4701 633 -317 5179 2123 2458 -359 1336 415 1461 1976 -807 1857 -725 264 -448 -1449 -219 517 -1035 -1121 900000 -632 900000 4958 900000 -5994 -8034 -3043 -1234 1142 -524 832 900000 900000 900000 900000 1706 900000 835 900000 409 900000 3490 -1359 900000 1815 900000 -1804 900000 3800 900000 -4542 900000 900000 5860 -6 900000 900000 1774 900000 3145 900000 1976 900000 2196 900000 2019 2151 3738 195 2358 4113 3118 4868 1677 3186 3791 1842 3725 -2790 851 3127 2295 4848 4041 3682 492 3928 1614 5287 3749 5323 2769 3008 1427 -3610 3470 1264 1206 2086 2296 667 -11 -3758 3530 259 -689 -151 -1949 62 1269 4520 815 3133 -2517 3972 -1093 1870 -5176 -1461 -219 -1947 -358 -344 -5038 -3147 -2583 -3408 -153 -4197 -5025 -4072 2045 -2365 2024 -383 -2356 809 -3797 1183 708 5785 5542 759 -374 5627 2321 2860 -507 2195 782 2994 4337 -1970 4759 -2011 737 -1270 -4110 -582 1253 -2327 -2389 SS 20210510T050929.9Z 7800.214930 43 1 50.67 2 82.66 65.71 66.16 63.96 0.00 1 0.00 1 0 25 5.179e-01 7.177e-03 2.417e-01 3.175e-03 7.633922e-01 1.777761e-03 7.281925e-03 -6.000000e+00 2.940843e-01 225.16 -2.00 3.06 -2.00 321.81 0.00e+00 5.847637e-03 9.749497e-04 2.465765e-03 -6.000000e+00 1.352266e-02 279.10 -2.00 20.00 -2.00 321.33 0.00e+00 7.258 0.002 302.00 328.00 3 8.0486e-02 6.5547e-03 7.1299e-02 -6.0000e+00 7.2660e-01 1.0688e-01 1.0197e-02 4.5970e-02 -6.0000e+00 7.9272e-01 -8.9812e-02 1.1640e-02 2.0755e-02 -6.0000e+00 4.6941e-01 2.4375e-02 5.3339e-03 9.8711e-03 -6.0000e+00 2.0179e-01 6.3340e-04 -9.9435e-04 9.0108e-05 9.0003e-05 -6.0000e+00 1.4212e-02 3.6907e-03 11 8 0 10 0 0 -10.45 18.47 0.27 0.00369 -0.00378 257 55 2 8 0 191.910 14.98 18.47 8.04 20.96 20.96 16.0 839.81 900000 -299212 900000 -239445 900000 -185199 900000 -16011 -198078 -184494 -160173 -158203 -77366 -61376 -64081 3844 -65094 61505 -55298 -19905 -39113 -50830 -61648 -54605 -21142 -65546 748 -37930 2864 -48163 28348 25322 22460 -21065 4173 -5153 1007 3092 -10157 9191 -8383 10077 -6306 22322 2506 6480 -5580 6937 3082 6730 7702 1977 5954 1769 4809 -822 6105 -1814 4780 -2201 5652 2000 3766 1945 1031 3965 1385 4366 2979 1797 587 677 -397 99 -2289 -73 824 -1625 1336 -931 1253 -2117 -1020 -1111 -718 -2243 -554 -725 -138 361 493 389 93 1241 231 1010 627 570 -784 21 -465 165 1220 427 -1472 -1739 -751 -738 -90 -289 -264 -595 137 200 631 1260 893 576 -603 -329 -856 352 -48 -21 316 255 856 1588 -52 -33 -64 3 287 362 -162 -587 106 -172 -398 -134 203 -22 493 900000 -3367 900000 -1617 900000 -745 900000 -50 -1287 -1142 -843 -979 -287 -266 -377 14 -564 190 -548 -148 -363 -535 -763 -693 -209 -1075 6 -481 25 -790 272 313 341 -486 80 -108 22 73 -340 305 -377 411 -323 892 126 324 -330 384 191 441 568 176 566 193 543 -103 735 -235 563 -274 679 280 602 363 208 774 278 895 697 494 180 216 -126 29 -627 -17 186 -391 360 -311 486 -978 -471 -547 -375 -1267 -323 -436 -82 224 285 212 50 689 148 695 507 533 -816 22 -451 141 1021 361 -1250 -1566 -707 -750 -101 -370 -380 -918 213 302 898 1716 1232 837 -940 -528 -1352 523 -69 -29 421 328 1063 2068 -79 -58 -125 6 628 847 -410 -1566 287 -472 -1091 -351 493 -50 1075 SS 20210510T051540.7Z 7800.219221 46 1 51.23 2 81.42 64.92 64.98 62.97 0.00 1 0.00 1 0 25 3.256e-01 5.819e-03 1.515e-01 1.822e-03 6.812573e-01 9.736025e-04 6.633733e-03 -6.000000e+00 1.829670e-01 225.16 -2.00 3.06 -2.00 321.40 0.00e+00 3.869903e-03 4.848968e-04 2.263206e-03 -6.000000e+00 8.070625e-03 279.10 -2.00 20.00 -2.00 320.89 0.00e+00 6.332 0.001 302.00 328.00 3 3.1098e-02 3.3411e-03 6.1947e-02 -6.0000e+00 4.5250e-01 6.7476e-02 4.8467e-03 3.8580e-02 -6.0000e+00 4.9296e-01 -3.5305e-02 5.3182e-03 1.7316e-02 -6.0000e+00 2.9361e-01 5.8474e-04 2.5094e-03 7.6240e-03 -6.0000e+00 1.2492e-01 1.4706e-03 -9.3695e-04 5.0934e-05 6.6257e-05 -6.0000e+00 8.7003e-03 3.5191e-03 10 0 0 10 0 0 0.86 18.46 0.26 0.00352 -0.00352 401 86 2 8 0 122.840 14.98 18.46 8.80 20.96 20.96 16.2 844.52 -77919 -113319 -97028 -148064 -56298 -130516 -76547 -139463 -81721 -123688 -62248 -81136 -54000 -43061 -40884 -34318 -26605 -16266 -41942 -16013 -28333 -7155 -35454 -14911 -23829 -17706 -25743 -19465 -17402 -17809 -1575 -2074 -1216 -7445 -1138 -11949 -3187 -5718 -2659 -3594 -1481 -493 -2883 4565 -2089 3165 -453 1620 -1667 3678 2200 4681 3303 1234 2120 -487 1118 -1150 2254 -410 2722 1330 2662 1613 1101 2026 1994 1765 2720 386 186 353 -624 -17 -1696 1237 -598 195 -21 -444 -403 -748 -1392 -1127 -990 -1043 -377 -754 -281 -77 880 168 1297 1286 866 619 694 319 -629 -82 7 247 760 508 -1686 -1199 1284 -847 -333 -416 -416 -331 32 193 599 1081 859 402 95 -789 -681 -95 -416 -253 290 198 1022 1377 60 60 85 101 96 274 -394 -405 135 -63 -543 -126 93 132 466 -189 -463 -367 -912 -132 -630 -240 -928 -355 -873 -260 -476 -315 -299 -356 -339 -280 -174 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