File name: Pandora177s1_WestportCT_20230807_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T133029.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230807_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230807 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230807T162709.2Z 8619.685523 396 1 6.44 2 25.71 162.06 86.38 284.67 0.00 1 0.00 1 0 17 1.572e-02 1.273e-02 3.127e-03 2.176e-03 1.533105e-01 1.177587e-03 1.879569e-03 -6.000000e+00 9.547567e-03 232.12 -2.00 3.51 -2.00 314.87 0.00e+00 7.534820e-04 9.908650e-05 1.353602e-04 -6.000000e+00 4.251239e-04 289.97 -2.00 20.00 -2.00 314.19 0.00e+00 1.110 0.000 302.00 328.00 3 4.2001e+00 3.0366e-03 1.3722e-02 -6.0000e+00 2.3906e-02 4.6760e-02 3.3441e-03 7.9495e-03 -6.0000e+00 2.5713e-02 -7.3943e-03 1.9151e-03 3.8213e-03 -6.0000e+00 1.5329e-02 -5.8107e-03 8.4572e-04 1.0498e-03 -6.0000e+00 6.5602e-03 2.2683e-03 -1.8661e-04 6.5451e-05 1.6235e-05 -6.0000e+00 4.6292e-04 -7.0136e-03 0.0000e+00 12 9 9 12 1 1 99.96 23.47 0.36 -0.00701 -0.00842 8 16 1 5 0 696.600 26.83 20.01 23.47 28.15 21.8 1039.24 2464 424 244 -4216 -1812 -2190 1310 892 -106 -3369 -2814 -2492 -1261 -218 435 101 -144 2269 1377 2535 953 381 1182 2087 2460 1299 -100 -1415 -225 -673 1831 1937 885 -2544 -5797 -4283 -4404 -875 -600 -476 -1064 18 154 148 1202 570 -255 -930 -1039 -245 1259 692 1025 877 477 1307 500 -457 -190 367 1074 2090 2772 2161 252 -1556 -1391 -1369 2046 1419 964 1680 1141 1867 199 -954 -2519 -3340 -2473 -1954 -2450 -2738 -2705 -1632 -237 213 1164 1116 1691 1258 360 -712 -1740 -323 -684 -17 366 1504 565 -367 -1341 -2326 -1055 -746 -1428 -2135 -807 -1142 563 1499 1682 1337 1033 269 -109 -389 -106 158 805 705 715 736 942 682 993 -483 -337 617 166 -257 -678 -939 -791 -86 151 60 396 814 419 -201 -552 -1708 858 158 90 -1491 -564 -652 397 302 -39 -1304 -1064 -955 -518 -99 198 49 -71 1114 698 1301 501 200 620 1128 1382 747 -56 -759 -112 -324 885 992 477 -1401 -3135 -2264 -2549 -574 -426 -379 -849 15 128 123 983 462 -202 -766 -829 -194 1017 551 850 751 418 1152 447 -409 -168 323 975 2006 2622 2113 242 -1495 -1223 -1182 1837 1420 972 1734 1175 1835 198 -862 -2253 -2885 -2216 -1788 -2489 -2814 -2936 -1846 -282 253 1441 1410 2101 1502 426 -769 -1863 -333 -746 -19 439 1809 710 -453 -1660 -2712 -1198 -887 -1717 -2733 -1062 -1564 746 2060 2366 1863 1451 349 -139 -475 -130 204 1034 962 998 1016 1256 873 1283 -599 -401 733 208 -321 -876 -1231 -1057 -119 220 86 581 1206 625 -297 -790 -2401 SS 20230807T163148.7Z 8619.688758 400 1 1.78 2 25.46 164.58 87.19 285.41 0.00 1 0.00 1 0 17 1.710e-02 1.403e-02 6.657e-03 4.932e-03 1.547887e-01 2.685809e-03 1.900763e-03 -6.000000e+00 1.038662e-02 232.12 -2.00 3.51 -2.00 314.53 0.00e+00 2.778562e-04 2.125389e-04 1.516856e-04 -6.000000e+00 4.624294e-04 289.97 -2.00 20.00 -2.00 313.88 0.00e+00 1.107 0.000 302.00 328.00 3 4.0240e+00 6.9032e-03 1.3725e-02 -6.0000e+00 2.6007e-02 5.1733e-02 7.5904e-03 7.9469e-03 -6.0000e+00 2.7971e-02 -7.9012e-03 4.3574e-03 3.8627e-03 -6.0000e+00 1.6676e-02 -6.8808e-03 1.9024e-03 1.0814e-03 -6.0000e+00 7.1374e-03 2.7044e-03 -6.0460e-04 1.4863e-04 1.7748e-05 -6.0000e+00 5.0354e-04 -7.7554e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.47 0.54 -0.00776 -0.01230 1 14 1 5 0 805.830 26.83 20.00 23.47 28.90 22.0 1044.10 1453 1675 158 -3886 -2195 -3514 -783 265 1354 -3034 -4548 -1476 -555 1986 -1581 1220 -832 1855 2975 3341 2133 412 1346 3373 2118 624 639 -1449 780 -323 1273 621 324 -2986 -5469 -4528 -3567 -1548 -544 -1880 -542 -215 879 473 652 -667 -2050 -50 -1055 -923 2521 1231 675 1644 -106 1444 370 -7 -1159 110 1420 1955 2918 1618 1193 -1550 -897 -2035 2526 1857 1291 2741 70 1491 478 -1021 -2215 -2932 -2338 -2701 -2655 -2631 -3192 -2105 628 -1 1353 1781 976 1853 181 -1007 -1709 575 -417 -722 305 1370 -295 -388 -893 -1900 -1380 -599 -1534 -1991 -986 -860 825 1445 1863 907 796 336 134 -421 -108 -3 723 604 679 1017 1822 635 1204 -694 -808 337 -226 -24 -870 -1299 -880 89 174 569 599 1106 396 -335 -357 -1997 559 677 64 -1504 -752 -1246 -285 99 543 -1295 -1937 -619 -250 910 -824 653 -437 966 1568 1797 1172 229 747 1909 1269 385 382 -829 433 -175 696 362 186 -1750 -3124 -2538 -2162 -1019 -395 -1481 -453 -186 761 412 563 -575 -1734 -40 -863 -752 2058 1021 589 1465 -93 1272 331 -6 -1032 101 1282 1872 2810 1623 1164 -1491 -823 -1853 2360 1844 1323 2858 74 1504 474 -972 -1927 -2584 -2030 -2601 -2690 -2751 -3547 -2330 721 -1 1665 2229 1218 2196 211 -1116 -1827 587 -431 -814 356 1640 -373 -478 -1075 -2153 -1599 -691 -1835 -2530 -1292 -1121 1105 1938 2554 1241 1074 436 167 -502 -128 -4 924 787 906 1338 2396 809 1514 -841 -983 409 -277 -31 -1120 -1700 -1170 117 241 789 855 1597 577 -483 -518 -2859 SS 20230807T163902.7Z 8619.693781 406 1 2.81 2 25.15 168.58 88.44 286.56 0.00 1 0.00 1 0 17 1.602e-02 1.316e-02 2.771e-03 2.024e-03 1.547705e-01 1.103377e-03 1.895602e-03 -6.000000e+00 9.731308e-03 232.12 -2.00 3.51 -2.00 314.60 0.00e+00 4.951240e-04 8.869541e-05 1.309904e-04 -6.000000e+00 4.332825e-04 289.97 -2.00 20.00 -2.00 313.96 0.00e+00 1.104 0.000 302.00 328.00 3 3.3059e+00 2.8372e-03 1.3717e-02 -6.0000e+00 2.4367e-02 4.2910e-02 3.1192e-03 7.9842e-03 -6.0000e+00 2.6207e-02 -1.0722e-02 1.7881e-03 3.8616e-03 -6.0000e+00 1.5624e-02 -3.9360e-03 7.8300e-04 1.0563e-03 -6.0000e+00 6.6868e-03 5.5758e-03 -3.5776e-04 6.1231e-05 1.7077e-05 -6.0000e+00 4.7180e-04 -7.3562e-03 0.0000e+00 12 9 9 12 1 1 99.89 23.50 0.32 -0.00736 -0.01004 8 37 1 5 0 292.480 26.83 20.01 23.50 30.18 21.9 1052.51 2258 376 969 -2655 -2120 -2580 -1022 761 1055 -3370 -4082 -2745 -891 1274 339 402 -192 1910 1962 2065 770 260 1703 1882 2679 1213 643 -979 -518 -387 1599 2283 1116 -3212 -6116 -4518 -4408 -1394 -357 -710 -704 -164 118 -6 1026 406 -64 -511 -1306 -160 687 822 848 1312 281 1380 773 169 -677 266 1132 1751 2820 1995 451 -1131 -1340 -950 1485 1714 902 1795 970 1383 183 -811 -2040 -3223 -1951 -2760 -2502 -2954 -2717 -1774 -550 265 1531 825 1797 1699 498 -719 -1881 -454 -837 -54 593 1556 681 -497 -1337 -2421 -1173 -704 -1545 -1671 -1012 -1102 609 1514 1638 1482 745 198 -291 -339 -235 15 1077 720 851 680 1103 579 694 -269 -677 260 173 1 -1058 -1087 -588 135 119 197 491 914 654 -75 -696 -1946 843 151 379 -990 -708 -901 -339 277 413 -1402 -1680 -1133 -392 564 166 208 -102 1014 1066 1147 437 147 960 1100 1507 702 362 -566 -278 -201 836 1256 648 -1922 -3581 -2581 -2750 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