File name: Pandora177s1_WestportCT_20240326_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T173547.9Z 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_20240326_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: 20240326 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 20240326T123248.4Z 8851.522782 270 1 11.74 2 70.80 104.01 104.62 271.22 0.00 1 0.00 1 0 25 6.241e-02 1.137e-02 3.426e-02 3.293e-03 3.970215e-01 1.737108e-03 4.914686e-03 -6.000000e+00 3.709859e-02 227.08 -2.00 3.51 -2.00 319.21 0.00e+00 2.284977e-03 4.270037e-04 1.801034e-03 -6.000000e+00 1.606828e-03 278.20 -2.00 20.00 -2.00 318.60 0.00e+00 3.006 0.000 302.00 328.00 3 3.1753e+00 4.8029e-03 3.6818e-02 -6.0000e+00 9.2136e-02 1.0930e-02 5.5461e-03 2.1752e-02 -6.0000e+00 9.9755e-02 -4.4424e-03 4.1729e-03 1.1500e-02 -6.0000e+00 5.9283e-02 -5.5124e-03 2.1953e-03 3.7762e-03 -6.0000e+00 2.5279e-02 6.7729e-04 4.0031e-04 1.0176e-04 4.7673e-05 -6.0000e+00 1.8357e-03 9.7647e-03 0.0000e+00 12 9 9 12 1 1 80.71 23.10 0.30 0.00976 0.01277 13 13 1 5 0 838.030 26.51 19.98 23.10 9.90 23.2 932.25 -9645 -15975 -11696 -27597 -20341 -9242 -6446 4850 -11847 -34485 -31902 -20662 9226 -4192 2920 3637 -1399 4601 -3750 -2245 -3294 -1041 278 1163 -2614 -1314 -5765 -7750 -1053 -900 -25 -749 -564 -5495 -9680 -5455 -4593 -2427 -220 -2685 88 174 1496 485 2108 1186 120 756 -577 666 1004 2296 2843 2066 1427 1972 1014 -1167 -1124 192 1231 2606 3888 2931 8 -985 -883 170 1648 1024 1841 1735 1170 1014 -276 -2868 -2857 -3386 -2261 -2556 -2294 -1960 -2876 -963 112 411 1776 1351 1767 792 -134 -1517 -2281 -584 -985 -533 688 1295 333 -668 -1059 -1793 -1128 -927 -2062 -1516 -1185 -314 1333 1540 1302 1000 -40 -458 -478 -331 -61 333 1413 630 815 1028 1447 624 275 -951 -1140 355 -60 -119 -885 -1323 -810 -324 289 143 279 785 778 -45 -447 -1075 -257 -498 -353 -922 -588 -237 -176 134 -422 -1606 -1506 -969 382 -240 182 251 -110 362 -338 -208 -313 -98 27 118 -294 -149 -674 -893 -112 -100 -3 -105 -85 -882 -1573 -867 -816 -507 -54 -764 26 55 484 161 695 397 41 255 -200 240 389 868 1144 882 636 899 472 -549 -522 89 595 1361 2196 1767 5 -580 -500 98 1043 728 1392 1344 893 733 -185 -1789 -1672 -2022 -1475 -1916 -1937 -1661 -2630 -916 112 439 1957 1517 1942 837 -133 -1403 -2217 -528 -981 -596 850 1606 433 -853 -1356 -2133 -1304 -1120 -2693 -1921 -1571 -437 1967 2445 2022 1566 -66 -706 -692 -464 -86 498 2219 1033 1333 1633 2211 926 391 -1308 -1543 496 -92 -197 -1559 -2245 -1424 -599 561 288 577 1628 1599 -91 -858 -2001 SS 20240326T124315.3Z 8851.530038 273 1 48.79 2 68.90 105.91 106.55 272.87 0.00 1 0.00 1 0 25 6.215e-02 1.090e-02 5.526e-02 5.082e-03 3.611135e-01 2.686007e-03 4.447952e-03 -6.000000e+00 3.694698e-02 227.08 -2.00 3.51 -2.00 319.51 0.00e+00 4.995006e-03 7.230937e-04 1.465177e-03 -6.000000e+00 1.600244e-03 278.20 -2.00 20.00 -2.00 318.91 0.00e+00 2.752 0.000 302.00 328.00 3 4.5205e+00 7.5102e-03 3.3370e-02 -6.0000e+00 9.1760e-02 5.1509e-02 8.7587e-03 1.8861e-02 -6.0000e+00 9.9347e-02 -1.2586e-02 6.6957e-03 1.1527e-02 -6.0000e+00 5.9041e-02 -2.0924e-03 3.4889e-03 5.7921e-03 -6.0000e+00 2.5176e-02 2.2941e-04 2.6299e-04 1.6197e-04 6.5801e-05 -6.0000e+00 1.8281e-03 9.6626e-03 0.0000e+00 12 8 8 10 0 0 99.97 23.10 0.57 0.00966 0.01164 45 10 1 5 0 1084.130 26.51 19.98 23.10 10.54 23.2 936.25 20159 19431 -13751 -25355 7627 -2315 -13014 7975 -21145 -18458 -10665 -14484 -24076 -19901 -784 -11311 11424 58 8895 13504 -1215 3438 -9569 1959 -399 5540 -8066 -7203 -5415 578 2033 -6259 8202 -3151 938 -1943 -4123 4397 -1503 -3940 -1622 -3129 -3051 3490 -722 2936 -817 2428 -1555 247 2251 131 2247 820 1675 3424 2161 -878 -1300 455 33 3550 823 3078 578 1077 -637 928 1478 1728 1480 -359 -520 986 773 -1600 -2792 -2158 -2418 -2582 -4268 -1230 -3520 0 486 1290 951 1511 1851 930 -126 -1055 -1549 -900 253 559 784 733 36 -284 -2143 -2178 -1137 -180 -1725 -1058 -1090 -909 1141 1117 928 500 639 -582 -90 -674 -441 497 717 130 419 1145 858 1366 442 -1066 -300 -279 97 -572 -723 -1471 43 -27 123 177 203 1319 304 -68 -472 -1096 446 474 -472 -918 183 -60 -402 222 -846 -739 -406 -635 -1386 -1327 -50 -901 779 5 695 1045 -110 297 -963 184 -40 536 -879 -755 -551 58 224 -842 1028 -444 123 -265 -643 749 -321 -975 -425 -877 -882 962 -210 830 -239 688 -463 75 721 46 827 320 668 1370 881 -365 -537 203 16 1774 426 1640 338 590 -339 498 871 1132 1041 -263 -373 660 476 -912 -1506 -1167 -1442 -1759 -3329 -1018 -3177 0 476 1335 1033 1657 1990 961 -122 -945 -1323 -783 238 588 920 939 48 -370 -2624 -2463 -1246 -205 -2127 -1369 -1478 -1299 1714 1801 1570 850 1041 -895 -129 -938 -624 735 1125 213 686 1813 1315 2001 625 -1457 -399 -386 145 -932 -1237 -2609 78 -51 248 371 435 2823 651 -143 -944 -2127 SS 20240326T125220.4Z 8851.536347 276 1 5.19 2 67.26 107.60 108.22 274.33 0.00 1 0.00 1 0 17 6.657e-02 1.324e-02 5.802e-02 9.322e-03 3.495045e-01 4.857043e-03 4.287372e-03 -6.000000e+00 3.956731e-02 227.08 -2.00 3.51 -2.00 318.43 0.00e+00 2.977072e-03 9.524976e-04 1.030836e-03 -6.000000e+00 1.713943e-03 278.20 -2.00 20.00 -2.00 317.80 0.00e+00 2.566 0.000 302.00 328.00 3 4.3587e+00 1.3074e-02 3.1442e-02 -6.0000e+00 9.8268e-02 6.4062e-02 1.4825e-02 1.8111e-02 -6.0000e+00 1.0640e-01 -2.0375e-02 9.9826e-03 9.5052e-03 -6.0000e+00 6.3231e-02 4.9183e-04 5.1986e-03 3.4732e-03 -6.0000e+00 2.6959e-02 3.2782e-04 6.1145e-05 2.8609e-04 3.8102e-05 -6.0000e+00 1.9581e-03 1.0699e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.10 0.68 0.01070 0.01116 1 4 1 5 0 2592.280 26.51 19.98 23.10 10.88 23.2 939.06 97 -18614 -37004 -31765 22006 -2202 19132 -16878 4031 -25494 -3524 -12212 -7391 711 -716 11564 -8814 7941 -945 13005 1935 -1399 7403 -8341 4535 -944 319 -7700 5097 -5156 11659 5125 -1614 1549 -5876 -344 -7798 1624 957 1383 -4746 -1846 1308 -424 3540 3463 748 -607 3381 1478 -4 2113 -1200 -33 -815 3553 1905 -2550 1257 -2104 2297 2303 2311 1159 448 -742 -2183 -209 2971 555 748 955 2001 1950 1838 -2564 -2921 -1026 -2584 -3729 -3003 -1182 -682 -1216 -678 89 907 155 1563 -586 797 -1053 -2220 -191 649 -1269 435 2266 156 -1419 -747 -2350 -1778 -652 -1164 -1972 -870 294 1732 941 2006 1514 187 536 -1092 -100 -909 691 664 738 1802 -300 1062 393 1510 -1068 -1398 9 -209 -771 149 -962 -152 -88 190 450 187 144 -381 -375 -121 -140 5 -1172 -2811 -2145 800 -100 758 -1074 225 -1970 -224 -928 -629 66 -79 1239 -1236 995 -136 1680 283 -212 1053 -1468 739 -165 54 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