File name: Pandora177s1_WestportCT_20240508_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T181348.2Z 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_20240508_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: 20240508 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 20240508T131808.2Z 8894.554262 156 1 22.24 2 51.00 101.45 52.58 93.21 0.00 1 0.00 1 0 25 1.669e-02 1.156e-02 1.935e-03 8.006e-04 2.342156e-01 4.248145e-04 2.813050e-03 -6.000000e+00 1.006056e-02 230.60 -2.00 3.51 -2.00 316.72 0.00e+00 1.144299e-03 5.248326e-05 3.143190e-04 -6.000000e+00 4.380195e-04 282.86 -2.00 20.00 -2.00 316.03 0.00e+00 1.586 0.000 302.00 328.00 3 2.7878e+00 1.1134e-03 2.0058e-02 -6.0000e+00 2.5157e-02 3.6505e-02 1.2381e-03 1.2050e-02 -6.0000e+00 2.7137e-02 -5.9195e-03 7.2499e-04 5.8721e-03 -6.0000e+00 1.6127e-02 -5.1122e-03 3.4480e-04 1.6907e-03 -6.0000e+00 6.8630e-03 4.9546e-03 1.7693e-04 2.4469e-05 1.9560e-05 -6.0000e+00 4.9120e-04 3.2218e-03 0.0000e+00 12 9 9 12 1 1 99.97 23.01 0.30 0.00322 0.00455 95 49 1 5 0 231.550 26.41 20.00 23.01 20.69 24.6 1008.43 1874 677 -402 -2984 -4215 -2177 -887 537 -1948 -4753 -5957 -4276 -1663 -537 1545 227 291 1746 1698 2093 840 821 1455 1982 1687 816 -466 -924 -853 -582 1469 1457 786 -3762 -5418 -4777 -3544 -1164 -243 -768 -659 -23 158 184 715 499 -284 -511 -939 130 971 967 1330 1022 487 1234 346 -213 -441 211 1430 2413 2845 2209 11 -1155 -1517 -645 1767 1218 1093 1458 1261 1103 -174 -1397 -2526 -3136 -1901 -2378 -2476 -2635 -2846 -1503 -302 529 1219 1245 1612 1295 365 -913 -1589 -591 -580 -284 716 1344 459 -399 -1434 -2100 -849 -391 -1719 -1832 -964 -781 939 1409 1379 940 596 4 -412 -390 83 264 947 514 686 677 1162 768 748 -743 -591 449 -36 -318 -886 -1140 -313 128 339 -34 679 751 478 -154 -586 -1570 287 112 -66 -466 -608 -298 -129 86 -346 -885 -1122 -831 -353 -129 407 65 87 530 534 675 252 270 485 627 562 278 -156 -323 -284 -192 503 540 281 -1396 -2152 -1895 -1400 -532 -130 -464 -393 -14 99 116 447 310 -190 -333 -605 84 656 639 922 736 361 927 264 -162 -331 159 1111 1998 2515 2033 10 -987 -1212 -512 1495 1150 1022 1395 1193 1081 -159 -1166 -1952 -2387 -1527 -2149 -2492 -2660 -3050 -1679 -356 612 1471 1528 1942 1607 421 -969 -1579 -630 -609 -327 903 1693 602 -513 -1859 -2550 -1004 -484 -2141 -2411 -1313 -1109 1384 2036 2059 1396 904 6 -540 -490 106 353 1340 767 1038 1005 1659 1054 978 -1007 -774 596 -48 -448 -1300 -1708 -479 204 531 -55 1132 1266 806 -255 -940 -2459 SS 20240508T132830.9Z 8894.561469 159 1 28.85 2 49.09 103.51 50.67 94.93 0.00 1 0.00 1 0 17 1.811e-02 1.148e-02 9.014e-03 3.079e-03 2.239274e-01 1.627462e-03 2.707592e-03 -6.000000e+00 1.092417e-02 230.60 -2.00 3.51 -2.00 317.35 0.00e+00 1.543481e-03 2.316795e-04 4.788739e-04 -6.000000e+00 4.754997e-04 282.86 -2.00 20.00 -2.00 316.62 0.00e+00 1.524 0.000 302.00 328.00 3 5.1313e+00 4.3074e-03 1.9233e-02 -6.0000e+00 2.7317e-02 4.5682e-02 4.8130e-03 1.1491e-02 -6.0000e+00 2.9465e-02 -1.3948e-03 2.8651e-03 5.6619e-03 -6.0000e+00 1.7510e-02 -7.9976e-03 1.3912e-03 1.7302e-03 -6.0000e+00 7.4533e-03 5.1145e-04 2.9552e-04 9.6428e-05 1.8546e-05 -6.0000e+00 5.3322e-04 1.7818e-03 0.0000e+00 12 9 9 12 1 1 100.00 23.03 0.48 0.00178 0.00400 22 9 1 5 0 1254.120 26.41 20.00 23.03 21.50 24.5 1013.32 3810 554 -4327 -5578 -3423 -2527 -1022 -1048 48 -4076 -6339 -3543 1039 -2104 823 -363 1422 2092 2092 14 689 2054 1628 -540 646 691 -2396 -476 -1379 -660 2517 1729 907 -5104 -6045 -3388 -4334 -916 -125 -1245 -270 214 -33 1094 1355 1124 270 957 -863 -509 505 1005 940 1070 -209 1624 -120 234 -793 -64 1612 2403 2814 1581 105 -1653 -468 -968 1801 1345 880 1619 857 1444 -426 -1463 -2517 -2684 -1940 -2220 -2079 -2477 -2904 -1420 -39 544 1052 1340 1228 1739 248 -1466 -2507 -995 -828 -896 764 1493 398 -409 -1757 -2039 -873 -720 -1472 -1681 -893 -718 883 1560 1249 598 519 28 -73 -369 112 -147 1048 598 979 877 1035 634 809 -741 -1202 392 -120 -574 -1290 -992 -586 -30 210 249 823 566 485 -32 -304 -1541 465 74 -602 -727 -397 -281 -120 -137 7 -604 -958 -545 171 -409 174 -83 332 502 519 4 180 527 426 -151 187 203 -704 -130 -361 -170 725 543 277 -1641 -2046 -1121 -1469 -355 -57 -640 -148 122 -19 630 778 641 152 519 -468 -279 288 607 598 703 -142 1106 -84 161 -544 -44 1138 1810 2262 1329 87 -1285 -334 -696 1371 1141 804 1506 794 1269 -352 -1099 -1907 -1990 -1523 -1792 -1861 -2413 -3009 -1530 -44 655 1322 1707 1543 2074 277 -1508 -2419 -942 -836 -996 921 1933 539 -541 -2184 -2364 -987 -854 -1883 -2275 -1251 -1047 1336 2472 2048 978 805 40 -97 -472 145 -200 1510 910 1507 1326 1509 889 1078 -951 -1498 492 -161 -822 -1924 -1501 -907 -48 356 439 1483 1035 886 -57 -526 -2617 SS 20240508T133751.3Z 8894.567955 162 1 48.04 2 47.39 105.43 48.95 96.52 0.00 1 0.00 1 0 17 1.731e-02 1.198e-02 6.549e-03 2.326e-03 2.193442e-01 1.224896e-03 2.670445e-03 -6.000000e+00 1.044116e-02 230.60 -2.00 3.51 -2.00 317.25 0.00e+00 1.077042e-03 1.702683e-04 4.482580e-04 -6.000000e+00 4.545430e-04 282.86 -2.00 20.00 -2.00 316.51 0.00e+00 1.475 0.000 302.00 328.00 3 5.1043e+00 3.2386e-03 1.8734e-02 -6.0000e+00 2.6109e-02 4.3478e-02 3.6189e-03 1.1342e-02 -6.0000e+00 2.8163e-02 -9.6311e-04 2.1481e-03 5.5464e-03 -6.0000e+00 1.6737e-02 -8.9276e-03 1.0387e-03 1.5785e-03 -6.0000e+00 7.1231e-03 5.5791e-04 1.8567e-04 7.2614e-05 1.8350e-05 -6.0000e+00 5.0971e-04 2.6107e-03 0.0000e+00 12 9 8 11 8 0 99.89 23.06 0.41 0.00261 0.00401 22 5 1 5 0 2183.110 26.41 20.00 23.06 21.93 24.4 1015.55 -462 2042 -1151 -1509 -4589 -420 -5275 1337 -2596 -5332 -2345 -3944 769 1627 881 400 -938 2177 1116 1409 821 1956 1216 3488 1303 -145 -1903 -1822 -701 -1108 1341 430 1335 -3778 -4459 -3920 -4580 -1352 -1143 -1528 -456 -592 763 292 600 484 -680 -1187 -543 303 1422 413 1254 1284 468 1389 55 -340 -580 517 1019 3086 3004 2253 -67 -1161 -2054 -750 2594 907 1463 1484 1176 1367 -656 -1422 -2831 -3034 -2762 -2111 -2541 -2611 -2411 -1280 -185 355 1265 1319 1716 1341 835 -1225 -1623 -734 -787 -107 411 1344 -116 -342 -1743 -2261 -1308 -759 -1587 -1747 -1235 -916 1114 1749 1864 969 684 -272 -327 -506 -450 176 814 467 600 734 1157 677 889 -740 -731 247 76 -622 -581 -1311 -551 18 223 376 818 937 458 -20 -777 -1486 -62 284 -163 -199 -567 -48 -680 180 -394 -847 -360 -643 133 319 194 95 -234 542 290 376 222 522 333 978 392 -45 -581 -524 -189 -297 370 129 418 -1234 -1401 -1230 -1602 -542 -538 -813 -258 -349 452 175 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