File name: Pandora64s1_NewHavenCT_20240922_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240923T055915.1Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240922_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: 20240922 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 20240922T112951.6Z 9031.479070 249 1 48.44 2 81.44 97.58 40.63 259.03 0.00 1 0.00 1 0 25 4.577e-01 2.872e-02 2.685e-01 1.080e-02 7.870630e-01 6.260434e-03 9.762207e-03 -6.000000e+00 2.771562e-01 228.36 -2.00 3.52 -2.00 321.51 0.00e+00 9.766024e-03 3.123985e-03 5.996782e-03 -6.000000e+00 1.244107e-02 286.71 -2.00 20.00 -2.00 320.93 0.00e+00 6.325 0.005 302.00 328.00 3 2.7120e+00 2.2076e-02 7.9479e-02 -6.0000e+00 6.8814e-01 7.7273e-01 2.8269e-02 5.0530e-02 -6.0000e+00 7.4332e-01 -8.9511e-01 2.2939e-02 2.7271e-02 -6.0000e+00 4.4375e-01 3.5251e-01 1.0984e-02 9.2730e-03 -6.0000e+00 1.8912e-01 2.4906e-05 -2.4015e-03 3.0794e-04 2.1394e-04 -6.0000e+00 1.3618e-02 3.6415e-03 -1.4643e-04 12 8 8 10 0 0 99.57 21.41 -0.05 0.00364 -0.01440 21 5 1 5 0 2306.530 25.90 20.00 21.41 20.34 39.7 994.91 -96145 -45981 -21109 -118730 -126463 -128227 -78228 -28829 108241 -12075 -158796 -38570 -68785 -77574 -15731 18218 -59850 187619 -72028 32535 -1845 900000 122237 42270 -29631 175780 -74066 -20749 -55769 -74105 -34799 87076 38660 57451 1197 107048 -31750 55860 -620 62226 21568 54893 24521 -10335 -15726 63583 21154 29471 10066 -18195 47666 41414 45033 23544 29516 19796 25903 13667 31025 5884 12053 10305 18881 -4897 37085 12477 12829 23025 17006 5011 16112 1798 9230 -5246 3798 -8631 18416 -3207 -109 1898 -1289 -10054 2465 -5867 2656 -3781 2378 -3907 5977 2350 -2939 -2170 -6620 -5371 -676 -1109 -1617 -1679 807 -3520 225 -3801 -6141 -1634 -1214 -3840 -3177 1184 -2629 396 2337 -416 -715 565 -548 -2058 1018 1187 -387 2132 510 2195 2246 4191 2538 1641 -2765 2605 588 973 132 -7 -1445 388 370 609 -371 1058 138 -576 -1811 -1468 -2561 -847 -306 -3825 -3917 -3893 -1545 -385 1140 -144 -7154 -711 -2088 -3268 -439 444 -3082 1976 -4636 835 -61 900000 1379 946 -1285 1851 -4637 -784 -3110 -5420 -2221 2006 1533 2004 65 2330 -2545 2284 -49 3161 1666 3367 1994 -1197 -1951 3860 1906 2569 1125 -2774 4434 4483 5059 3499 4231 3018 3910 2255 4157 962 1964 1914 3642 -1330 6763 2870 3037 5182 4581 1703 5162 636 3034 -1838 1093 -2569 4145 -964 -37 719 -582 -5612 1303 -3566 1582 -2515 1540 -2714 3698 1428 -1766 -1248 -4006 -3516 -490 -897 -1518 -1786 879 -3887 222 -3505 -5457 -1444 -1138 -3862 -3424 1332 -3451 543 3463 -659 -1136 860 -811 -3049 1510 1836 -639 3448 811 3277 3255 5995 3590 2283 -4023 3798 1003 1850 265 -14 -3349 942 918 1551 -966 2734 351 -1448 -4333 -3307 SS 20240922T121859.7Z 9031.513191 276 1 48.38 2 72.42 106.16 49.47 268.01 0.00 1 0.00 1 0 25 4.296e-02 7.106e-03 6.508e-03 5.432e-04 4.496825e-01 2.921517e-04 5.308521e-03 -6.000000e+00 2.601795e-02 228.36 -2.00 3.52 -2.00 319.20 0.00e+00 7.346992e-04 7.639897e-05 3.810851e-04 -6.000000e+00 1.164566e-03 286.71 -2.00 20.00 -2.00 318.46 0.00e+00 3.264 0.001 302.00 328.00 3 1.1296e+00 8.1553e-04 4.0280e-02 -6.0000e+00 6.4620e-02 -3.3345e-03 9.5158e-04 2.3599e-02 -6.0000e+00 6.9802e-02 1.2276e-02 7.1066e-04 1.1670e-02 -6.0000e+00 4.1661e-02 -1.3153e-02 3.7148e-04 3.3602e-03 -6.0000e+00 1.7744e-02 3.8371e-03 -2.8121e-04 1.6763e-05 4.0350e-05 -6.0000e+00 1.2781e-03 1.3772e-03 -1.7219e-05 11 8 0 10 0 0 99.99 21.42 0.18 0.00138 -0.00074 730 176 1 5 0 66.260 25.90 20.00 21.42 21.60 39.7 1001.10 -9815 -12824 -5506 -16835 -28449 -20075 -10756 -13271 -5940 -9542 -7977 -8273 -3048 -3181 825 -1011 -688 -1003 1008 887 483 -1005 1162 -207 695 516 -687 -2489 -1120 -1749 1433 -122 2500 -499 -4249 -3209 -2263 -1604 125 -151 -978 -1174 -210 -936 -354 -101 -757 -366 -713 -499 1170 -652 870 1253 179 1046 1112 524 101 454 528 1566 1624 2723 821 -997 -138 -1253 814 1733 428 719 -187 612 -210 -859 -996 -1822 -577 -319 -1231 -528 -1933 -1758 -440 -235 274 317 1085 724 492 598 -628 -1 811 259 -113 1197 637 -440 -540 -1706 -1927 258 339 -1402 -346 -878 -209 403 864 336 276 49 -266 -283 405 -262 584 253 -221 -404 645 -10 951 542 -1067 489 915 303 378 -620 -674 -362 481 -181 -426 489 367 -295 198 -644 -220 -322 -133 -422 -758 -511 -276 -397 -167 -295 -253 -303 -128 -160 47 -66 -48 -76 79 73 41 -87 106 -21 73 56 -75 -265 -117 -199 164 -16 350 -72 -613 -489 -389 -327 30 -39 -274 -347 -64 -289 -110 -32 -239 -118 -235 -174 442 -272 383 545 82 488 527 247 47 214 263 847 961 1704 515 -607 -83 -785 523 1234 328 561 -144 440 -139 -559 -621 -1173 -385 -243 -998 -472 -1860 -1688 -449 -253 305 358 1196 756 509 580 -595 -1 827 299 -138 1590 828 -587 -674 -1986 -2313 303 426 -1867 -459 -1242 -302 625 1410 553 440 74 -399 -414 602 -390 916 409 -356 -631 972 -15 1382 761 -1493 719 1394 501 632 -1085 -1230 -664 930 -348 -837 967 715 -580 372 -1177 SS 20240922T122402.4Z 9031.516694 279 1 48.35 2 71.51 107.08 50.38 268.85 0.00 1 0.00 1 0 25 7.302e-02 7.459e-03 2.060e-02 1.551e-03 4.324519e-01 8.379241e-04 5.101194e-03 -6.000000e+00 4.424403e-02 228.36 -2.00 3.52 -2.00 319.55 0.00e+00 8.474266e-04 2.400020e-04 4.449899e-04 -6.000000e+00 1.979928e-03 286.71 -2.00 20.00 -2.00 318.80 0.00e+00 3.113 0.001 302.00 328.00 3 2.9308e+00 2.3976e-03 3.8563e-02 -6.0000e+00 1.0989e-01 -1.5767e-02 2.8321e-03 2.2752e-02 -6.0000e+00 1.1868e-01 3.5053e-02 2.1649e-03 1.1303e-02 -6.0000e+00 7.0832e-02 -2.0262e-02 1.1210e-03 3.3145e-03 -6.0000e+00 3.0188e-02 7.4458e-04 1.4909e-04 4.8901e-05 4.0827e-05 -6.0000e+00 2.1724e-03 4.3540e-04 9.7543e-05 11 8 0 10 0 0 99.99 21.42 0.14 0.00044 0.00156 397 96 1 5 0 121.770 25.90 20.01 21.42 21.87 39.7 1002.03 -22130 -12461 -13548 -16423 -67304 -16480 -21840 -2679 -11799 -5950 -18751 -5589 -7593 -2586 -4396 1474 -2601 -1918 487 1211 -174 355 1978 255 1678 2000 -1031 -1790 81 -2933 3811 843 3747 -843 -3266 -2224 -739 -2355 755 -1040 -67 -1948 -283 -2105 373 -496 361 -793 -44 -1461 1334 1998 1263 672 1148 207 943 -244 417 153 884 1407 1828 2100 1264 -908 30 -1266 871 1417 305 449 -229 601 303 -791 222 -1849 -559 -137 -1131 -721 -2190 -1880 -663 -187 -132 529 956 910 381 727 -806 364 652 487 -281 1217 582 -349 -674 -1659 -2142 526 319 -1330 -568 -650 -295 538 811 427 265 132 -444 -165 418 -325 439 345 -444 -407 677 142 917 596 -1259 556 943 141 408 -696 -735 -413 542 -139 -302 592 518 -386 159 -738 -475 -264 -300 -348 -2240 -342 -529 -61 -326 -164 -611 -183 -305 -118 -241 86 -155 -123 32 83 -12 25 149 21 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