File name: Pandora75s1_EssexMD_20250306_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250307T052515.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250306_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250306 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250306T135057.4Z 9196.577053 147 1 3.94 2 65.21 120.85 102.91 38.08 0.00 1 0.00 1 0 17 2.983e-02 8.538e-03 7.321e-03 1.769e-03 3.716276e-01 9.185752e-04 4.345916e-03 -6.000000e+00 1.771768e-02 225.92 -2.00 3.48 -2.00 317.68 0.00e+00 1.268733e-03 1.476134e-04 4.243751e-04 -6.000000e+00 7.756153e-04 277.72 -2.00 20.00 -2.00 317.03 0.00e+00 2.369 0.000 302.00 328.00 3 2.1626e+00 2.4295e-03 3.0122e-02 -6.0000e+00 4.3846e-02 1.5216e-02 2.7420e-03 1.8518e-02 -6.0000e+00 4.7693e-02 -6.7271e-03 1.6957e-03 9.2152e-03 -6.0000e+00 2.8394e-02 -1.9323e-03 8.4488e-04 2.7282e-03 -6.0000e+00 1.1788e-02 3.5423e-03 -2.8349e-04 5.4939e-05 3.2557e-05 -6.0000e+00 9.2281e-04 6.8750e-03 -2.7131e-05 12 9 1 12 1 1 83.35 23.28 0.42 0.00687 0.00474 17 38 1 5 0 218.740 26.11 20.00 23.28 13.89 5.9 930.52 -11935 -7837 -4874 -6502 -7871 -15568 -9276 -9117 -9046 -7514 -8857 -7758 -4251 -2318 -2987 65 -98 396 -182 1700 1140 2813 1515 1858 559 233 -1486 -1643 -2056 -1812 -953 278 836 -2133 -2308 -3381 -2200 -1709 192 21 -369 -761 472 220 892 1458 659 270 -30 218 925 1308 1397 2312 1183 1788 971 -196 109 465 1058 2138 2385 1958 888 105 -462 -15 780 986 1093 947 501 -76 -92 -1284 -1894 -2608 -1911 -2173 -1938 -2113 -1911 -1834 -857 -426 489 726 723 597 318 -86 -550 -609 -384 -111 332 546 86 -564 -1139 -1390 -1067 -355 -1092 -1052 -471 -71 275 875 1015 450 68 64 27 52 55 546 486 459 525 603 848 920 772 283 138 339 196 -66 -312 -368 -439 16 159 160 351 428 153 64 -559 -1076 -938 -869 -618 -392 -517 -588 -1209 -706 -766 -843 -738 -912 -841 -508 -320 -443 11 -17 75 -36 347 240 587 329 425 137 60 -358 -418 -505 -448 -252 74 242 -662 -701 -1034 -719 -594 78 9 -182 -401 238 114 459 749 340 139 -15 116 520 790 847 1475 796 1230 645 -132 76 323 711 1528 1857 1547 718 82 -346 -12 615 819 990 852 451 -70 -78 -1056 -1530 -2070 -1509 -1837 -1756 -2128 -1972 -1914 -945 -477 570 867 861 685 356 -93 -565 -622 -417 -127 407 708 114 -740 -1479 -1747 -1271 -428 -1354 -1380 -620 -99 390 1272 1559 682 104 93 38 73 77 759 716 682 789 890 1259 1309 1090 384 182 457 273 -99 -480 -569 -702 25 270 274 618 763 273 111 -933 -1801 -1548 SS 20250306T144658.4Z 9196.615954 185 1 1.49 2 56.55 133.39 95.79 47.70 0.00 1 0.00 1 0 17 1.915e-02 9.410e-03 1.371e-02 5.744e-03 2.895292e-01 2.999624e-03 3.448964e-03 -6.000000e+00 1.137431e-02 225.93 -2.00 3.48 -2.00 316.56 0.00e+00 9.479885e-04 3.607460e-04 2.140829e-04 -6.000000e+00 4.979583e-04 277.73 -2.00 20.00 -2.00 315.94 0.00e+00 1.809 0.000 302.00 328.00 3 3.5624e+00 7.7860e-03 2.3196e-02 -6.0000e+00 2.8148e-02 2.7606e-02 8.7212e-03 1.4446e-02 -6.0000e+00 3.0618e-02 -1.6723e-03 5.0711e-03 7.1509e-03 -6.0000e+00 1.8228e-02 -3.1824e-03 2.3626e-03 2.0627e-03 -6.0000e+00 7.5674e-03 1.6865e-03 -3.7206e-04 1.8015e-04 2.7229e-05 -6.0000e+00 5.9247e-04 6.2991e-03 -6.2634e-05 12 9 9 12 1 1 999.00 23.31 0.27 0.00630 0.00350 1 11 1 5 0 741.580 26.11 20.01 23.31 14.66 5.9 935.69 3001 -2131 3623 -3803 -6198 -3974 -8929 -4778 -7599 -1506 -6060 -554 -1135 -1413 -3213 -188 -300 103 3021 2199 3646 -745 2214 -202 1855 411 800 -1343 -2639 473 1095 -1647 501 -678 -1767 -4220 -3879 -2544 892 -225 314 1059 4 -341 595 171 1653 386 729 554 -778 675 1198 1993 412 920 1790 1445 -1338 626 584 2025 1572 1402 1482 206 -757 -1241 1459 932 1220 1122 384 -119 -886 -1703 -2107 -2017 -2558 -1324 -1589 -1420 -1919 -671 -1527 -825 536 738 797 8 278 -1188 614 -1274 -164 298 103 508 -37 -362 -944 -829 -1228 -1039 -762 -757 -328 -243 922 1304 1020 793 -143 31 -192 658 -23 415 -82 -245 514 752 717 958 1712 187 -302 539 109 -187 253 327 -489 -119 -612 249 437 345 -160 -33 -408 -1024 -829 406 -336 559 -608 -931 -556 -1360 -766 -1381 -273 -1173 -106 -242 -347 -843 -53 -90 32 965 732 1220 -241 770 -70 657 153 296 -487 -921 159 384 -642 206 -290 -743 -1798 -1645 -1226 459 -128 195 690 3 -222 384 111 1105 257 478 368 -518 473 887 1455 317 719 1406 1136 -1066 488 470 1626 1371 1230 1301 182 -638 -1034 1252 847 1145 1101 380 -114 -833 -1540 -1752 -1703 -2151 -1224 -1568 -1468 -2040 -745 -1744 -956 644 909 979 10 320 -1334 660 -1367 -175 334 123 636 -48 -473 -1172 -994 -1476 -1277 -955 -963 -436 -327 1292 1863 1476 1161 -212 42 -256 860 -31 565 -115 -348 736 1062 1024 1306 2291 242 -396 710 147 -259 368 471 -730 -178 -969 394 710 571 -266 -54 -638 -1613 -1288 SS 20250306T145450.4Z 9196.621416 191 1 12.94 2 55.46 135.35 94.70 48.96 0.00 1 0.00 1 0 17 1.971e-02 8.423e-03 8.306e-03 2.981e-03 2.848732e-01 1.549639e-03 3.360387e-03 -6.000000e+00 1.170744e-02 225.93 -2.00 3.48 -2.00 316.93 0.00e+00 1.187382e-03 2.050626e-04 2.401769e-04 -6.000000e+00 5.124082e-04 277.73 -2.00 20.00 -2.00 316.30 0.00e+00 1.759 0.000 302.00 328.00 3 4.8886e+00 4.0439e-03 2.2648e-02 -6.0000e+00 2.8973e-02 3.3912e-02 4.5460e-03 1.4184e-02 -6.0000e+00 3.1512e-02 3.8563e-03 2.6858e-03 7.0328e-03 -6.0000e+00 1.8761e-02 -7.7863e-03 1.2766e-03 2.1067e-03 -6.0000e+00 7.7907e-03 4.7088e-04 1.1903e-04 9.3934e-05 2.5576e-05 -6.0000e+00 6.0957e-04 6.0796e-03 1.3511e-05 12 9 1 12 1 1 99.98 23.31 0.69 0.00608 0.00697 7 5 1 5 0 1617.310 26.11 20.00 23.31 14.96 5.9 937.41 -12720 -2744 89 3000 -6344 -8145 -206 -729 -4501 -5129 -4349 -3379 -2380 4851 1150 7 -505 2219 -686 338 2239 2293 1528 1043 -384 -41 210 -1602 -37 -622 1729 -437 449 -2636 -2367 -3341 -2063 -1578 -116 -157 -290 -204 878 -390 340 772 -512 475 -603 -147 1368 622 1874 1708 1368 845 458 -563 127 881 949 1622 1877 1859 466 -315 -631 -206 831 766 423 1406 490 -267 -239 -1075 -865 -1846 -1550 -2109 -1237 -1697 -2299 -1669 -1015 87 21 1143 520 860 526 -710 -654 -915 -320 -286 749 280 465 -90 -931 -1705 -1020 -525 -1277 -1114 -604 -346 612 1087 1053 762 819 -3 -270 -27 -17 184 505 294 666 817 753 644 165 -36 186 205 623 -139 -447 -325 -234 -100 0 -1 182 407 148 -43 -190 -719 -943 -1683 -364 12 374 -797 -992 -24 -93 -659 -801 -687 -549 -426 928 238 2 -126 563 -187 94 625 642 439 315 -123 -14 69 -516 -11 -187 534 -149 164 -1019 -885 -1249 -818 -658 -56 -82 -167 -123 543 -247 215 485 -321 290 -368 -90 868 424 1339 1194 993 630 348 -430 95 653 725 1316 1532 1603 408 -262 -532 -170 719 686 414 1332 468 -263 -219 -901 -709 -1472 -1288 -1831 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