File name: Pandora177s1_WestportCT_20230816_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T134803.9Z 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_20230816_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: 20230816 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 20230816T172250.9Z 8628.724200 4 1 48.96 2 28.01 193.11 24.97 183.08 0.00 1 0.00 1 0 17 1.629e-02 1.217e-02 2.971e-03 1.600e-03 1.546361e-01 8.536368e-04 1.894501e-03 -6.000000e+00 9.876920e-03 231.76 -2.00 3.51 -2.00 316.03 0.00e+00 7.913109e-04 9.090700e-05 2.132423e-04 -6.000000e+00 4.407388e-04 290.10 -2.00 20.00 -2.00 315.23 0.00e+00 1.132 0.000 302.00 328.00 3 4.9574e+00 2.2277e-03 1.3942e-02 -6.0000e+00 2.4707e-02 3.0728e-02 2.4683e-03 8.0091e-03 -6.0000e+00 2.6583e-02 -3.9802e-03 1.4164e-03 3.8698e-03 -6.0000e+00 1.5854e-02 -7.2978e-03 6.4644e-04 1.0732e-03 -6.0000e+00 6.7889e-03 1.0429e-03 -1.0366e-05 4.9480e-05 1.4740e-05 -6.0000e+00 4.7963e-04 -5.1970e-03 0.0000e+00 12 8 8 10 0 0 99.94 23.32 0.37 -0.00520 -0.00527 45 10 1 5 0 1087.850 26.62 20.00 23.32 31.99 22.4 1063.29 2076 2478 153 -2735 -3523 -1640 -452 335 -96 -3314 -4749 -3394 -1015 172 2091 -468 193 1672 1205 2217 428 385 622 2276 2545 1153 -915 -1019 -778 -383 1050 1546 1022 -4175 -5108 -5581 -3116 -1388 -419 -706 -806 -175 495 180 412 538 -479 -708 -1298 -10 863 662 1443 932 396 1388 670 -149 -331 -165 1253 2289 2850 2443 181 -1598 -1868 -1244 1584 1212 815 1375 1367 1548 61 -1395 -2792 -3564 -2013 -2375 -2531 -2252 -3032 -1299 -98 153 1045 1389 1761 1216 447 -965 -1676 -1115 -309 -471 537 1319 531 -464 -1567 -2135 -1416 -342 -1552 -1803 -1171 -966 980 1405 1624 1104 952 -24 -90 -801 -661 -251 731 556 473 667 927 792 723 -329 -697 302 182 -346 -640 -984 -387 -39 391 38 665 827 450 106 -696 -1744 497 622 39 -652 -764 -333 -96 79 -24 -882 -1261 -907 -289 54 708 -172 72 626 464 866 172 153 249 934 1086 505 -396 -414 -296 -141 391 609 421 -1788 -2099 -2292 -1370 -705 -248 -469 -576 -129 367 134 305 392 -341 -486 -868 -6 586 476 1077 721 313 1105 541 -120 -264 -132 1030 1989 2619 2315 169 -1392 -1497 -975 1302 1108 803 1388 1369 1487 55 -1151 -2117 -2851 -1663 -1998 -2356 -2259 -3237 -1436 -114 190 1356 1832 2287 1519 519 -1024 -1643 -1066 -309 -514 636 1672 701 -603 -1913 -2448 -1592 -400 -1968 -2422 -1629 -1392 1450 2166 2366 1727 1410 -33 -114 -972 -808 -322 995 804 701 974 1307 1070 929 -405 -826 359 228 -459 -877 -1371 -548 -57 603 62 1099 1386 758 177 -1129 -2774 SS 20230816T173953.5Z 8628.736036 16 1 44.66 2 28.97 201.56 25.46 192.46 0.00 1 0.00 1 0 17 1.544e-02 1.204e-02 9.089e-04 5.304e-04 1.572234e-01 2.844393e-04 1.923458e-03 -6.000000e+00 9.363410e-03 231.76 -2.00 3.51 -2.00 315.71 0.00e+00 7.302588e-04 2.824969e-05 2.041748e-04 -6.000000e+00 4.177755e-04 290.10 -2.00 20.00 -2.00 314.94 0.00e+00 1.143 0.000 302.00 328.00 3 3.0206e+00 7.3901e-04 1.4082e-02 -6.0000e+00 2.3423e-02 2.1580e-02 8.1756e-04 8.0948e-03 -6.0000e+00 2.5200e-02 -5.1593e-03 4.6798e-04 3.9148e-03 -6.0000e+00 1.5029e-02 -6.1579e-03 2.1189e-04 1.0774e-03 -6.0000e+00 6.4366e-03 7.1424e-03 -1.6824e-04 1.6240e-05 1.5008e-05 -6.0000e+00 4.5464e-04 -5.9341e-03 0.0000e+00 12 9 9 12 1 1 99.99 23.32 0.43 -0.00593 -0.00720 263 64 1 5 0 168.510 26.73 19.97 23.32 32.92 22.2 1068.22 2202 1316 188 -2712 -3323 -2741 -429 817 17 -3027 -4027 -2614 -703 310 487 -160 -425 1580 1134 2167 806 746 1481 2041 1757 749 -335 -977 -139 -336 1537 1683 1025 -3291 -5785 -4653 -3936 -1215 -250 -653 -730 -237 109 152 762 304 -241 -748 -904 -218 1004 1100 1050 1043 412 1341 481 -31 -334 274 1032 2191 2746 2118 187 -1440 -1546 -1129 1830 1350 948 1542 1261 1455 -96 -1237 -2589 -3108 -1890 -2104 -2459 -2506 -2881 -1747 -349 80 1226 1190 1749 1283 494 -697 -1647 -517 -519 -287 480 1419 678 -360 -1393 -2089 -1109 -639 -1537 -1850 -995 -860 763 1499 1623 1219 867 134 -360 -335 -207 76 866 510 668 580 988 590 942 -448 -715 389 43 -134 -718 -1176 -518 11 299 158 562 772 519 -85 -481 -1725 578 367 52 -713 -792 -621 -100 210 5 -887 -1173 -765 -220 107 185 -65 -176 656 484 939 357 328 654 932 840 366 -161 -442 -58 -137 635 737 471 -1560 -2673 -2113 -1945 -687 -150 -441 -529 -178 83 115 572 226 -174 -523 -614 -147 695 804 803 822 333 1092 398 -26 -273 223 870 1949 2585 2063 180 -1286 -1268 -908 1539 1265 959 1598 1301 1440 -90 -1050 -2219 -2569 -1617 -1817 -2356 -2597 -3167 -2001 -421 94 1502 1488 2152 1518 593 -763 -1670 -508 -537 -324 588 1705 850 -444 -1762 -2483 -1287 -777 -2020 -2364 -1313 -1177 1076 2198 2440 1817 1227 175 -476 -422 -262 101 1123 704 942 810 1329 833 1259 -575 -883 480 57 -186 -1029 -1714 -702 15 443 244 891 1241 838 -136 -747 -2629 SS 20230816T174505.7Z 8628.739649 19 1 30.03 2 29.35 204.04 25.70 195.25 0.00 1 0.00 1 0 17 1.545e-02 1.199e-02 1.623e-03 9.606e-04 1.572750e-01 5.167117e-04 1.916765e-03 -6.000000e+00 9.367175e-03 231.76 -2.00 3.51 -2.00 315.63 0.00e+00 8.054302e-04 5.038501e-05 1.819717e-04 -6.000000e+00 4.179900e-04 290.10 -2.00 20.00 -2.00 314.86 0.00e+00 1.147 0.000 302.00 328.00 3 3.8415e+00 1.3414e-03 1.4120e-02 -6.0000e+00 2.3432e-02 2.6067e-02 1.4823e-03 8.1078e-03 -6.0000e+00 2.5211e-02 -4.4656e-03 8.4990e-04 3.9153e-03 -6.0000e+00 1.5036e-02 -6.4035e-03 3.8252e-04 1.0896e-03 -6.0000e+00 6.4386e-03 3.1237e-03 -7.0018e-05 2.9597e-05 1.5232e-05 -6.0000e+00 4.5488e-04 -5.2308e-03 0.0000e+00 12 9 9 12 1 1 99.97 23.29 0.35 -0.00523 -0.00576 85 32 1 5 0 347.230 26.62 20.00 23.29 33.13 22.2 1069.45 2259 1042 38 -2385 -3178 -2552 -183 1363 -37 -3235 -4628 -2803 -1518 -52 951 -167 54 1559 1507 2109 849 215 1194 1942 1950 1003 -238 -555 -374 -262 1384 1728 832 -3074 -5593 -4791 -3691 -927 -47 -563 -885 -303 135 74 712 281 -222 -438 -1267 -85 811 728 940 1122 429 1449 553 -86 -352 8 994 2157 2635 2251 30 -1259 -1650 -1154 1839 1333 768 1344 1269 1350 3 -1322 -2446 -3102 -1902 -2362 -2561 -2571 -2882 -1667 -402 296 1065 1322 1636 1386 311 -826 -1678 -575 -368 -261 565 1327 620 -462 -1311 -2285 -1186 -562 -1547 -1836 -989 -908 679 1522 1578 1243 784 145 -215 -441 -252 -86 821 486 585 598 1051 681 856 -415 -747 444 75 -187 -760 -1219 -426 125 251 210 516 623 450 -14 -564 -1656 604 297 11 -635 -769 -587 -43 355 -10 -965 -1378 -836 -487 -19 367 -69 23 659 653 930 383 97 537 903 946 498 -115 -254 -160 -109 583 770 390 -1478 -2623 -2217 -1853 -532 -29 -386 -653 -230 104 57 543 213 -163 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