File name: Pandora55s1_QueensNY_20240101_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240113T072615.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240101_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240101 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240101T150538.1Z 8766.628913 360 1 50.52 2 68.95 152.15 82.86 275.42 0.00 1 0.00 1 0 25 1.475e-01 1.232e-02 3.212e-02 2.873e-03 4.352664e-01 1.482477e-03 5.152865e-03 -6.000000e+00 8.612357e-02 223.33 -2.00 3.51 -2.00 319.08 0.00e+00 5.013602e-04 3.641210e-04 4.785050e-04 -6.000000e+00 3.828972e-03 276.20 -2.00 20.00 -2.00 318.50 0.00e+00 2.758 0.000 302.00 328.00 3 4.3095e+00 4.0601e-03 3.5270e-02 -6.0000e+00 2.1210e-01 5.4148e-02 4.7112e-03 2.2334e-02 -6.0000e+00 2.3084e-01 -9.0156e-03 3.5587e-03 1.1142e-02 -6.0000e+00 1.3756e-01 -2.1606e-03 1.8725e-03 3.3407e-03 -6.0000e+00 5.8683e-02 2.5889e-04 1.5204e-05 8.8346e-05 4.0259e-05 -6.0000e+00 4.4241e-03 1.3651e-02 0.0000e+00 12 9 8 11 4 0 99.99 22.90 0.25 0.01365 0.01377 47 9 1 5 0 1074.660 26.21 19.99 22.90 12.17 35.1 982.98 -52653 900000 -61868 262 -9625 -28360 95339 -6133 554 -44424 -22089 -29986 -29270 56655 -706 -18330 -2872 32147 16981 20990 7167 3563 -17572 -3555 -6460 40147 -4051 -5324 -11497 -950 10332 471 -3675 279 20096 -3648 -6237 3821 6258 -4511 407 -5209 -3581 -2362 4399 -3851 3864 2801 2799 -118 126 -3153 7085 4467 1100 4777 1266 3568 299 1001 3912 2111 -1640 1587 -2843 887 -1442 607 1568 -2578 564 1277 -1499 1680 -377 1216 2999 312 -1438 -1402 1206 -1305 -752 -2156 -1479 -1554 -461 -1449 -685 -444 -172 1342 888 897 714 -111 25 -156 -701 -385 -430 7 1781 611 -737 -19 -1003 33 1150 495 -735 94 -23 -549 351 728 1279 204 -369 -1384 -506 151 858 -417 209 -205 1096 553 -203 786 620 856 553 738 -527 171 41 -310 -852 -409 -336 -261 89 -2227 900000 -3045 7 -265 -955 1152 -209 19 -2422 -1036 -1695 -1939 2033 -49 -1649 -241 2079 1323 1628 643 336 -2105 -402 -795 3303 -494 -634 -1434 -113 1237 69 -601 45 2616 -605 -1185 780 1473 -1322 124 -1740 -1216 -799 1414 -1336 1255 925 943 -43 49 -1347 2957 2012 526 2287 632 1736 147 491 1940 1146 -995 989 -1850 540 -870 367 1015 -1891 431 992 -1181 1235 -264 777 1781 190 -948 -1031 960 -1153 -701 -2122 -1521 -1675 -512 -1647 -772 -484 -178 1293 825 836 709 -121 30 -201 -943 -515 -550 8 2020 708 -902 -24 -1332 46 1640 753 -1178 153 -37 -857 521 1039 1814 299 -566 -2205 -808 237 1313 -627 304 -290 1495 767 -298 1217 1008 1435 951 1306 -977 326 80 -610 -1688 -795 -635 -476 160 SS 20240101T152429.2Z 8766.642004 373 1 50.51 2 67.40 156.52 86.36 278.31 0.00 1 0.00 1 0 25 1.911e-02 6.217e-03 1.807e-03 3.255e-04 4.148014e-01 1.672060e-04 4.955465e-03 -6.000000e+00 1.116472e-02 223.33 -2.00 3.51 -2.00 318.10 0.00e+00 3.696155e-04 3.058412e-05 1.919041e-04 -6.000000e+00 4.898060e-04 276.20 -2.00 20.00 -2.00 317.51 0.00e+00 2.581 0.000 302.00 328.00 3 5.7431e-01 4.4440e-04 3.3141e-02 -6.0000e+00 2.7496e-02 3.2358e-02 5.0336e-04 2.0929e-02 -6.0000e+00 2.9920e-02 -2.0712e-02 3.3344e-04 1.0473e-02 -6.0000e+00 1.7818e-02 2.1670e-03 1.7362e-04 3.0845e-03 -6.0000e+00 7.5660e-03 1.3441e-02 1.9025e-04 9.8213e-06 3.7478e-05 -6.0000e+00 5.7322e-04 1.0191e-02 0.0000e+00 11 1 0 11 4 0 74.36 22.90 0.19 0.01019 0.01162 791 150 1 5 0 63.760 26.21 19.99 22.90 12.35 35.3 985.21 -8330 -4451 -9965 -5759 -7736 -5679 -3797 -4123 -4437 -5921 -2944 -3353 -924 -758 -639 -1431 -2311 386 321 -34 796 1211 -70 345 -584 -459 -1463 -311 489 1165 1349 1567 -914 -815 239 -211 220 328 -457 -1443 -896 -1236 -920 -640 -204 -664 -468 -285 551 958 742 958 888 915 701 831 324 597 962 1456 1618 1275 760 -415 122 350 627 1237 882 174 -307 -632 -538 -686 -109 406 569 1207 193 -51 -711 -1609 -1392 -1259 -1236 -846 -614 -461 -546 -110 439 540 1383 1413 1222 840 770 -290 -565 -411 -568 -23 727 -102 -886 -399 -780 -99 -25 -133 -324 -235 -56 61 648 880 889 642 -154 -587 -640 -232 -321 100 120 437 1415 1040 368 478 24 279 186 207 -262 -154 158 -412 -479 -279 -236 -175 130 -464 -256 -601 -311 -403 -296 -215 -265 -312 -405 -205 -264 -84 -82 -80 -200 -349 56 49 -5 126 194 -12 63 -114 -92 -290 -59 90 223 287 373 -224 -201 61 -52 60 107 -167 -612 -387 -563 -430 -302 -96 -315 -221 -135 263 476 375 525 522 537 429 524 208 379 597 899 1041 848 556 -311 91 263 451 900 669 141 -272 -552 -486 -589 -90 318 413 865 151 -44 -656 -1586 -1409 -1293 -1352 -941 -715 -549 -646 -124 481 568 1362 1395 1301 963 916 -372 -769 -556 -723 -27 855 -123 -1101 -524 -1038 -133 -35 -199 -503 -363 -88 91 922 1229 1234 925 -229 -888 -982 -349 -484 145 173 619 1909 1423 524 716 38 454 302 341 -459 -275 280 -748 -873 -497 -414 -302 218 SS 20240101T153513.5Z 8766.649461 376 1 50.52 2 66.63 159.07 88.34 279.97 0.00 1 0.00 1 0 25 1.649e-02 6.073e-03 2.841e-03 5.002e-04 4.030568e-01 2.563267e-04 4.827658e-03 -6.000000e+00 9.632156e-03 223.33 -2.00 3.51 -2.00 318.16 0.00e+00 2.935003e-04 4.750534e-05 1.931548e-04 -6.000000e+00 4.225908e-04 276.20 -2.00 20.00 -2.00 317.56 0.00e+00 2.502 0.000 302.00 328.00 3 1.4758e+00 6.8248e-04 3.2180e-02 -6.0000e+00 2.3722e-02 3.1841e-02 7.7358e-04 2.0365e-02 -6.0000e+00 2.5814e-02 -1.2640e-02 5.1338e-04 1.0177e-02 -6.0000e+00 1.5372e-02 -1.6305e-03 2.6734e-04 2.9752e-03 -6.0000e+00 6.5270e-03 5.9652e-03 1.4033e-04 1.5153e-05 3.6937e-05 -6.0000e+00 4.9456e-04 1.0677e-02 0.0000e+00 11 1 0 11 4 0 99.88 22.90 0.19 0.01068 0.01173 453 86 1 5 0 111.500 26.21 20.00 22.90 14.43 35.6 998.00 -5696 -3892 -8357 -6728 -4695 -6173 552 -3897 -4024 -4439 -3373 -2610 -2251 1030 -1503 -1360 426 764 606 -172 181 1045 -221 50 -330 -15 -1459 -642 186 669 1557 1463 -1245 -778 533 13 -98 300 -452 -1439 -910 -1442 -1120 -815 -261 -898 -448 -549 593 679 576 762 1036 624 772 868 262 788 867 1608 1334 1456 651 -397 27 320 520 1335 873 70 -187 -643 -440 -628 -90 371 758 1169 215 48 -530 -1459 -1337 -1178 -1189 -868 -608 -481 -542 -24 395 638 1412 1470 1255 833 721 -284 -586 -417 -557 -80 685 -102 -926 -453 -796 -158 -53 -87 -335 -244 -47 4 553 828 866 635 -178 -649 -416 -287 -285 85 81 361 1407 1071 366 522 49 324 137 274 -268 -153 139 -399 -466 -235 -246 -167 113 -302 -217 -483 -358 -231 -314 29 -243 -274 -317 -250 -215 -201 106 -183 -182 60 114 95 -28 30 174 -39 9 -62 -3 -277 -116 33 123 314 330 -311 -195 128 3 -27 93 -168 -581 -398 -668 -500 -367 -117 -407 -202 -247 284 320 293 419 575 367 472 546 168 498 537 991 860 965 475 -296 20 238 370 958 653 59 -163 -581 -391 -533 -74 287 542 825 166 40 -478 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