File name: Pandora64s1_NewHavenCT_20231104_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231105T044039.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231104_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231104 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231104T132851.1Z 8708.561703 313 1 33.10 2 71.18 132.28 42.24 260.95 0.00 1 0.00 1 0 25 5.276e-02 9.427e-03 2.128e-02 2.701e-03 3.963169e-01 1.422139e-03 4.769172e-03 -6.000000e+00 3.144762e-02 224.13 -2.00 3.52 -2.00 318.74 0.00e+00 7.214962e-04 3.181564e-04 5.034794e-04 -6.000000e+00 1.399760e-03 281.57 -2.00 20.00 -2.00 318.07 0.00e+00 3.063 0.000 302.00 328.00 3 4.1777e+00 3.8552e-03 3.6664e-02 -6.0000e+00 7.7485e-02 1.3388e-02 4.4259e-03 2.0445e-02 -6.0000e+00 8.4024e-02 -2.8196e-03 3.1234e-03 1.0229e-02 -6.0000e+00 5.0159e-02 -5.1069e-03 1.6369e-03 2.9657e-03 -6.0000e+00 2.1445e-02 2.3821e-04 -6.0870e-04 8.3936e-05 3.6147e-05 -6.0000e+00 1.5676e-03 -2.4249e-04 -8.6978e-05 12 9 9 12 1 1 94.65 21.02 0.06 -0.00024 -0.00482 15 6 1 5 0 2068.700 25.58 20.00 21.02 17.26 37.5 981.73 -26736 -4291 -19876 -6663 -21037 14857 -12189 -18538 -5901 -12626 -20147 -7212 -13824 -9674 3779 3943 -3421 2185 -859 2491 3846 4608 7355 455 2188 1400 -890 -5218 -1422 -9647 2364 -683 5395 -3237 -1795 -4554 327 -2791 2105 -457 916 -1008 532 -3625 -106 -1140 1787 -1015 -605 -3327 2606 632 1358 1311 967 826 1880 -382 1542 -338 873 1013 1972 3195 1739 -1326 -152 -750 1195 2259 1112 1132 90 949 -1217 -1049 -47 -1697 -1368 -228 -1584 -1838 -2279 -1628 -890 -175 154 438 717 1007 279 139 -1497 -118 229 625 -468 1245 444 -123 -1020 -1463 -2707 414 113 -1567 -731 41 -236 715 1198 569 508 246 -716 -534 535 -597 692 375 -137 -335 1036 259 1134 376 -1080 897 1327 94 165 -589 -543 -483 293 -84 -46 477 329 -495 65 -956 -1153 -159 -880 -238 -814 441 -487 -891 -276 -663 -1171 -417 -1013 -802 320 348 -345 224 -95 278 428 513 848 60 299 200 -128 -744 -193 -1505 366 -119 979 -639 -333 -922 71 -705 606 -154 329 -367 197 -1406 -40 -438 663 -391 -235 -1397 1125 299 682 664 506 446 1020 -209 817 -185 498 630 1259 2140 1155 -858 -101 -487 849 1774 894 930 73 755 -906 -708 -32 -1166 -995 -178 -1406 -1730 -2280 -1645 -961 -198 174 499 804 1107 287 139 -1461 -117 240 702 -591 1633 602 -162 -1264 -1749 -3191 502 141 -2076 -1020 57 -346 1115 1886 900 803 366 -1048 -759 771 -877 1067 598 -218 -521 1547 384 1610 536 -1527 1269 2035 151 270 -1004 -930 -871 539 -160 -86 907 619 -930 117 -1736 SS 20231104T133355.4Z 8708.565224 316 1 19.39 2 70.49 133.34 43.17 261.90 0.00 1 0.00 1 0 25 5.050e-02 8.631e-03 1.245e-02 1.865e-03 3.820143e-01 9.814519e-04 4.603957e-03 -6.000000e+00 3.010629e-02 224.13 -2.00 3.52 -2.00 318.45 0.00e+00 1.133159e-03 2.005549e-04 2.717207e-04 -6.000000e+00 1.339908e-03 281.56 -2.00 20.00 -2.00 317.77 0.00e+00 2.960 0.000 302.00 328.00 3 3.1640e+00 2.6419e-03 3.5377e-02 -6.0000e+00 7.4180e-02 -9.9108e-03 3.0097e-03 1.9612e-02 -6.0000e+00 8.0434e-02 4.3173e-03 2.0459e-03 9.8161e-03 -6.0000e+00 4.8016e-02 -6.4241e-03 1.0672e-03 2.9616e-03 -6.0000e+00 2.0534e-02 7.4522e-04 -4.8623e-04 5.7712e-05 3.5282e-05 -6.0000e+00 1.5005e-03 -5.8863e-04 -4.2846e-05 12 9 1 12 1 1 57.58 21.01 0.10 -0.00059 -0.00424 27 17 1 5 0 692.390 25.58 20.00 21.01 17.43 37.4 982.35 -10011 -2555 -12068 899 -51903 -4617 -8936 -7238 -811 -956 -8494 -6117 -50 -1836 2554 -1151 758 805 552 -359 3646 903 4060 -1071 699 933 955 -2093 -60 -3529 3548 -2531 4159 -1187 -3533 -4518 62 -3009 1410 13 -81 -1307 550 -1391 464 -539 516 -196 517 -1402 2012 130 1212 1017 432 645 1170 61 274 48 449 1213 1818 2647 1663 -835 -37 -1627 1233 1719 220 558 -215 491 -312 -843 -789 -1958 -1097 -148 -1624 -977 -2003 -1936 -719 -607 484 557 869 468 162 788 -1330 480 599 446 -149 1422 463 -464 -597 -1461 -2490 238 92 -1305 -432 -365 -88 452 1085 473 365 199 -194 -424 379 -533 557 290 -284 -230 913 -89 825 727 -964 563 994 183 779 -631 -693 -351 472 -152 -254 229 406 -568 282 -845 -447 -114 -604 36 -3335 -190 -419 -376 -43 -54 -527 -418 -4 -168 244 -127 87 99 71 -49 481 123 569 -169 114 157 158 -339 -9 -605 632 -524 888 -251 -775 -998 15 -877 444 5 -32 -546 233 -605 200 -236 222 -86 227 -624 942 66 656 556 244 374 685 36 158 28 277 771 1249 1913 1185 -575 -25 -1136 933 1379 182 470 -186 400 -235 -607 -539 -1368 -845 -122 -1463 -926 -2030 -1996 -789 -676 555 648 994 528 170 800 -1317 483 635 509 -183 1822 614 -598 -748 -1774 -2978 294 117 -1695 -591 -507 -130 696 1686 738 566 300 -276 -608 534 -793 843 454 -445 -351 1391 -130 1195 1012 -1331 811 1496 288 1244 -1054 -1165 -621 852 -277 -472 431 753 -1054 500 -1512 SS 20231104T133830.2Z 8708.568405 319 1 48.44 2 69.87 134.31 44.01 262.74 0.00 1 0.00 1 0 33 2.493e-02 7.495e-03 4.334e-03 6.957e-04 3.738292e-01 3.662805e-04 4.503041e-03 -6.000000e+00 1.486060e-02 224.13 -2.00 3.52 -2.00 318.35 0.00e+00 6.428359e-04 7.260608e-05 2.687887e-04 -6.000000e+00 6.613786e-04 281.56 -2.00 20.00 -2.00 317.67 0.00e+00 2.875 0.000 302.00 328.00 3 2.2496e+00 9.8229e-04 3.4427e-02 -6.0000e+00 3.6616e-02 -1.3748e-02 1.1168e-03 1.9160e-02 -6.0000e+00 3.9702e-02 6.7278e-03 7.4784e-04 9.5551e-03 -6.0000e+00 2.3701e-02 -7.4339e-03 3.8939e-04 2.7789e-03 -6.0000e+00 1.0136e-02 2.0457e-03 -4.4083e-04 2.1601e-05 3.3824e-05 -6.0000e+00 7.4065e-04 -7.9461e-04 -4.6311e-05 11 9 0 11 8 0 99.17 21.01 0.15 -0.00079 -0.00411 219 53 1 5 0 221.180 25.68 20.00 21.01 17.50 37.6 983.18 46 -5036 -2437 -7831 -22102 -5507 -5008 -3248 -66 -2699 -5758 -3800 -1506 -2272 112 -721 -1286 612 262 450 347 -1072 1141 849 598 845 -97 -1470 -770 -1383 1417 -294 2217 -486 -4918 -2689 -2382 -1422 -77 -191 -972 -854 -17 -989 -33 327 -398 338 -513 -594 1288 814 885 1403 227 828 909 607 145 371 590 1488 1553 2694 797 -1263 1 -1202 671 1734 404 720 -186 496 -46 -1039 -841 -1978 -543 -258 -1240 -781 -1951 -1993 -493 -371 152 394 1044 509 318 388 -747 -132 893 362 -103 1122 593 -431 -580 -1796 -1842 27 230 -1378 -379 -722 -96 394 909 344 349 161 -135 -273 396 -240 599 229 -222 -339 651 51 1019 801 -965 553 996 334 482 -514 -732 -401 529 -168 -389 382 265 -351 62 -697 2 -255 -123 -383 -1167 -253 -251 -180 -4 -172 -386 -281 -128 -229 12 -84 -160 80 36 64 50 -158 175 139 103 151 -17 -251 -128 -244 271 -62 504 -113 -1141 -646 -646 -418 -27 -76 -388 -357 -7 -430 -14 142 -173 146 -227 -275 637 435 469 785 132 494 549 364 86 223 373 1015 1078 1958 576 -877 1 -838 511 1373 344 625 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