File name: Pandora177s1_WestportCT_20230504_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T115359.4Z 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_20230504_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: 20230504 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 20230504T114350.9Z 8524.488783 249 1 16.32 2 69.58 86.29 118.77 280.96 0.00 1 0.00 1 0 17 5.766e-02 9.237e-03 1.418e-02 1.097e-03 4.429784e-01 5.880466e-04 5.316435e-03 -6.000000e+00 3.493710e-02 230.17 -2.00 3.51 -2.00 319.25 0.00e+00 2.086629e-03 1.509392e-04 1.272723e-03 -6.000000e+00 1.511814e-03 282.30 -2.00 20.00 -2.00 318.60 0.00e+00 2.836 0.000 302.00 328.00 3 1.5147e+00 1.6335e-03 3.7167e-02 -6.0000e+00 8.7310e-02 2.4891e-02 1.8995e-03 2.3904e-02 -6.0000e+00 9.3993e-02 -8.6792e-03 1.4706e-03 1.2126e-02 -6.0000e+00 5.5861e-02 -3.4707e-03 7.7563e-04 3.6688e-03 -6.0000e+00 2.3982e-02 3.7917e-03 -8.7930e-04 3.2891e-05 4.4746e-05 -6.0000e+00 1.6929e-03 -4.7413e-02 0.0000e+00 12 9 1 12 1 1 95.41 23.51 0.26 -0.04741 -0.05402 105 73 1 5 0 152.350 26.83 20.01 23.51 14.50 20.0 954.36 -4741 -17177 -14338 -12602 -31022 -18563 -24939 -15546 -13194 -15399 -17961 -14625 -12583 -13394 -4098 -5030 -1254 -1829 403 -1072 -823 -976 -3126 672 -2050 -2559 -3469 -2521 -4743 -2564 -1024 687 1432 -3312 -4631 -6611 -4767 -2441 -582 -622 -1333 -588 -804 4 160 1441 -61 253 -283 -227 1052 1193 1262 1706 946 1708 1457 -328 -49 -396 731 2339 2819 3350 1046 -514 -838 -805 1368 1916 990 1395 872 866 501 -1126 -1147 -2228 -1419 -1338 -1668 -1745 -2555 -2055 -922 -197 874 1037 1247 1233 628 -306 -1609 -743 -304 -332 235 1349 937 -97 -848 -1864 -772 221 -955 -1906 -1289 -1310 -19 925 991 527 355 14 -381 -328 368 199 822 510 367 565 1170 814 727 -2 -906 581 271 -149 -729 -1164 -864 -249 205 -95 222 809 608 90 -130 -1186 -86 -404 -347 -293 -807 -409 -616 -396 -368 -470 -584 -498 -491 -643 -216 -308 -81 -129 30 -84 -66 -80 -267 59 -198 -261 -358 -251 -471 -255 -110 83 193 -490 -682 -981 -748 -441 -125 -156 -377 -161 -230 1 47 421 -18 83 -86 -72 353 437 501 718 420 779 681 -156 -23 -184 346 1181 1564 2005 660 -319 -496 -476 858 1345 705 1035 649 617 363 -751 -704 -1351 -914 -982 -1289 -1509 -2414 -2053 -894 -202 938 1144 1368 1308 629 -309 -1543 -705 -309 -349 277 1756 1218 -128 -1139 -2309 -892 257 -1191 -2552 -1674 -1793 -27 1442 1545 852 566 22 -582 -477 529 297 1296 845 618 929 1846 1242 1065 -2 -1242 860 405 -246 -1205 -2014 -1546 -465 378 -185 443 1627 1225 177 -245 -2299 SS 20230504T114752.1Z 8524.491576 253 1 48.87 2 68.82 86.94 119.50 281.67 0.00 1 0.00 1 0 17 5.993e-02 9.015e-03 4.334e-02 2.468e-03 4.329674e-01 1.323857e-03 5.239125e-03 -6.000000e+00 3.631983e-02 230.17 -2.00 3.51 -2.00 319.73 0.00e+00 1.758074e-03 3.923135e-04 1.576994e-03 -6.000000e+00 1.571430e-03 282.30 -2.00 20.00 -2.00 319.10 0.00e+00 2.742 0.000 302.00 328.00 3 3.3124e+00 3.7765e-03 3.6396e-02 -6.0000e+00 9.0766e-02 4.4582e-02 4.4971e-03 2.4241e-02 -6.0000e+00 9.7710e-02 -2.5097e-03 3.7033e-03 1.2302e-02 -6.0000e+00 5.8070e-02 -8.2416e-03 1.9345e-03 3.5684e-03 -6.0000e+00 2.4933e-02 6.8785e-04 -8.3627e-04 7.6175e-05 4.6403e-05 -6.0000e+00 1.7597e-03 -4.8207e-02 0.0000e+00 11 8 0 10 0 0 99.92 23.51 0.43 -0.04821 -0.05449 132 30 1 5 0 370.200 26.83 19.99 23.51 14.90 20.2 957.79 -19738 5570 -22711 3984 -32335 -15764 -9317 -4762 -19630 -15896 -25372 -25041 -4957 -6518 -3013 -6752 -3281 -2491 3337 1035 -3744 2050 -273 -40 -728 -7421 -3177 -9219 -2440 -3489 6587 -2297 2578 -2579 -4078 -5759 -2107 -1667 -1190 -596 -1603 -59 -791 -172 -1601 -424 -629 691 57 -749 1579 963 1013 565 319 1598 3 -631 -331 714 99 3158 2323 3448 727 -667 -725 -1149 1983 1871 939 1821 1123 964 580 -672 -1258 -1949 -1288 -945 -1574 -1823 -2393 -2387 -917 -193 1147 981 1508 1220 528 -9 -929 -579 -621 -130 351 1238 1026 -27 -1124 -1669 -1339 -187 -816 -2291 -1462 -1400 -17 670 1071 694 277 -163 -470 -383 273 393 807 761 146 470 800 1077 718 51 -640 626 447 -306 -561 -1411 -745 -106 -67 88 347 774 557 196 -139 -1052 -315 79 -452 59 -644 -255 -149 -82 -442 -369 -672 -712 -134 -218 -117 -312 -161 -130 175 58 -229 131 -18 -3 -56 -643 -265 -792 -191 -280 525 -228 272 -300 -473 -671 -255 -236 -203 -118 -359 -14 -196 -43 -413 -109 -163 177 15 -204 450 301 343 205 121 620 1 -256 -131 278 40 1337 1094 1737 387 -348 -359 -570 1032 1096 609 1223 758 625 350 -372 -643 -979 -686 -571 -1094 -1418 -2026 -2146 -864 -192 1192 1051 1601 1255 513 -8 -789 -488 -563 -131 398 1545 1372 -36 -1448 -1972 -1487 -208 -972 -2941 -1956 -1971 -25 1072 1660 1112 440 -271 -731 -565 399 595 1292 1277 251 785 1286 1663 1068 72 -886 869 672 -508 -998 -2636 -1432 -213 -129 178 719 1622 1169 403 -273 -2189 SS 20230504T134359.7Z 8524.572219 325 1 7.98 2 47.21 108.03 138.94 306.97 0.00 1 0.00 1 0 17 1.536e-02 9.935e-03 6.251e-03 2.720e-03 2.383838e-01 1.454020e-03 2.870324e-03 -6.000000e+00 9.307627e-03 230.18 -2.00 3.51 -2.00 316.44 0.00e+00 9.056020e-04 1.675617e-04 1.189695e-04 -6.000000e+00 4.026750e-04 282.31 -2.00 20.00 -2.00 315.78 0.00e+00 1.470 0.000 302.00 328.00 3 4.2335e+00 3.7927e-03 1.9361e-02 -6.0000e+00 2.3261e-02 5.2376e-02 4.2094e-03 1.2334e-02 -6.0000e+00 2.5040e-02 -1.0048e-03 2.4602e-03 6.0382e-03 -6.0000e+00 1.4881e-02 -7.2288e-03 1.1683e-03 1.7469e-03 -6.0000e+00 6.3899e-03 1.2744e-03 -7.9762e-04 8.2368e-05 2.1291e-05 -6.0000e+00 4.5092e-04 -4.8719e-02 0.0000e+00 12 9 9 12 9 1 98.27 23.50 0.37 -0.04872 -0.05471 6 10 1 5 0 1114.620 26.83 19.99 23.50 15.33 20.1 959.69 2973 1313 -434 -4793 -4482 -3752 -169 -336 1106 -433 -5165 -2741 -595 464 253 1168 267 2114 567 1685 2109 52 1776 1785 1170 -268 -1352 -2197 -723 592 2034 2654 2926 281 -6117 -3300 -3374 -1918 -822 -52 -448 -659 -507 37 -420 676 -989 -106 -989 -523 540 773 924 1148 167 1477 962 -44 428 -672 654 1337 2492 2048 927 -1388 -1283 -2071 1355 1391 584 1527 958 1269 1124 -776 -1383 -2021 -1303 -1353 -2039 -2244 -2205 -2368 -457 -358 833 1103 1064 1260 507 190 -923 -15 -252 -133 368 891 970 -496 -591 -1648 -648 -18 -896 -2014 -1035 -1057 -320 1056 862 649 332 147 228 -288 204 -86 653 214 139 217 695 577 567 690 -553 665 507 219 -251 -813 -842 181 163 -51 136 870 411 -234 -217 -1480 462 228 -78 -855 -724 -565 -25 -56 201 -84 -1046 -553 -129 113 70 331 80 645 182 552 701 18 596 623 434 -104 -525 -819 -251 197 688 965 1137 114 -2555 -1306 -1420 -925 -441 -30 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