File name: Pandora206s1_BuffaloNY_20230821_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20230822T112546.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230821_L1_smca1c1d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230821 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20230821T130915.5Z 8633.548096 95 1 28.01 2 61.62 100.29 115.36 79.69 0.00 1 0.00 1 0 17 4.177e-01 3.657e-02 2.049e-01 2.519e-02 2.732296e-01 1.262745e-02 3.374206e-03 -6.000000e+00 2.372471e-01 231.33 -2.00 3.55 -2.00 318.28 0.00e+00 8.132876e-04 2.380936e-03 8.056172e-04 -6.000000e+00 1.054304e-02 287.49 -2.00 20.00 -2.00 317.44 0.00e+00 2.093 0.000 302.00 328.00 3 7.9303e+00 3.4444e-02 2.5405e-02 -6.0000e+00 5.9388e-01 7.3715e-02 3.9263e-02 1.5537e-02 -6.0000e+00 6.4323e-01 5.5582e-02 2.5476e-02 7.0798e-03 -6.0000e+00 3.8310e-01 -3.9667e-02 1.3127e-02 2.2958e-03 -6.0000e+00 1.6273e-01 1.6660e-05 -1.3115e-03 7.1120e-04 2.1975e-05 -6.0000e+00 1.0653e-02 5.9118e-03 2.2657e-06 12 8 8 10 0 0 -85.88 18.60 3.99 0.00591 -0.00394 7 7 2 8 0 4000.000 14.99 18.60 29.73 21.98 21.98 19.0 1013.21 -28801 374912 55842 29137 105852 246680 -2735 79057 39114 -8267 60873 -5917 -18023 -4609 -25893 3110 39908 18398 7501 -9138 14632 -16978 4820 21535 14481 7660 2528 -5406 -21849 19180 3156 -11282 9983 12377 4635 7747 8883 -147 17031 -5875 11589 -5826 3272 -153 4867 -10886 -2787 -21071 -965 -3874 6406 6895 -11896 11521 1517 -2022 689 6141 -3872 -5135 -5321 5180 -2380 8639 -2095 4832 4769 -1355 3030 -1472 5258 -5053 5583 4365 3526 -4217 3974 2073 -1663 -3751 2929 -6956 -436 1410 -4335 363 1792 3860 -2554 1878 -2072 4858 1375 745 -1390 -352 3421 -281 3969 -1114 6739 -1843 892 -7352 366 -2085 3176 -43 330 -567 -35 -427 -6212 -646 -3859 4188 -2156 -2586 -1260 2436 -2542 2355 1062 -300 4028 -188 2069 -2201 5260 -2877 5683 -1624 2840 -3681 1920 144 -564 2077 994 740 -377 -912 -3222 -2305 9210 2332 1527 2600 6060 -172 2545 2120 -751 2836 -523 -2037 -528 -4104 430 4019 2395 1142 -1714 2229 -3503 813 3280 2490 1474 522 -1142 -5009 2957 592 -2642 2068 2655 998 1595 1979 -40 4700 -2429 4450 -2781 1479 -73 2188 -5758 -1339 -11853 -436 -1795 2832 3275 -7198 5849 883 -1238 420 3545 -2413 -3204 -3411 3211 -1734 6084 -1659 3276 3094 -905 2025 -1138 4202 -4688 4673 3564 2801 -3240 2528 1263 -1088 -2837 2334 -6794 -428 1412 -4761 409 2096 4577 -3256 2210 -2415 4819 1287 670 -1344 -373 3881 -370 5352 -1500 8140 -2233 975 -8930 452 -2782 4191 -61 493 -880 -57 -714 -10616 -1006 -5671 5285 -2880 -3612 -1863 3722 -4179 3627 1621 -444 5384 -250 2633 -2912 6946 -4260 8155 -2587 4391 -6277 3300 266 -1073 3942 1928 1395 -692 -1624 -5705 SS 20230821T141257.0Z 8633.592326 124 1 28.01 2 50.49 113.48 104.33 90.79 0.00 1 0.00 1 0 17 5.533e-02 1.447e-02 2.925e-02 9.789e-03 2.066513e-01 4.908643e-03 2.458189e-03 -6.000000e+00 3.145286e-02 231.32 -2.00 3.55 -2.00 317.12 0.00e+00 1.044025e-04 6.725301e-04 5.000980e-05 -6.000000e+00 1.396654e-03 287.48 -2.00 20.00 -2.00 316.29 0.00e+00 1.569 0.000 302.00 328.00 3 7.4589e+00 1.3035e-02 1.8858e-02 -6.0000e+00 7.8735e-02 2.1741e-02 1.4655e-02 1.0840e-02 -6.0000e+00 8.5250e-02 3.9941e-02 8.6680e-03 5.2516e-03 -6.0000e+00 5.0778e-02 -2.2093e-02 4.2097e-03 1.4485e-03 -6.0000e+00 2.1591e-02 5.1288e-05 4.3530e-04 2.7209e-04 1.5311e-05 -6.0000e+00 1.4108e-03 1.0248e-03 6.5114e-05 12 8 8 10 0 0 97.47 18.59 1.50 0.00102 0.00430 7 7 2 8 0 4000.000 15.00 18.59 30.78 21.98 21.98 19.2 1020.02 5397 4065 3868 -4478 -259 19220 -4630 55005 -1551 3902 -836 2031 -7686 4660 -7944 852 4857 2072 -1729 569 6044 -7211 3014 -173 -2097 -3311 811 -2226 -3483 -3224 -1580 -4097 3824 2556 2989 -1207 571 -1326 742 -863 2602 -1299 708 -848 1341 -1133 -4969 -5441 -2752 -604 1769 4126 -547 1540 3900 1241 776 1575 -423 -4439 -854 2687 1187 2611 759 373 -2303 -1995 321 -1227 1768 558 1788 1844 1601 -404 302 -596 -2737 -2518 -1676 524 -1990 -1212 -570 -992 692 1186 855 1390 1316 327 -797 -2345 -81 -1444 1274 569 1345 6 -318 -871 -2919 -1566 -9 -543 -471 979 -406 900 987 1184 553 -328 -1803 -568 -1600 -2179 -1709 544 0 497 519 448 1362 -89 -329 -324 1026 429 918 -1030 -228 -655 487 842 1160 1218 864 941 -197 -2011 -2168 651 546 537 -638 -31 1822 -588 4291 -232 590 -134 313 -1397 876 -1850 201 1134 511 -459 153 1577 -2113 837 -51 -657 -1092 268 -711 -1026 -916 -463 -1304 1213 859 920 -370 188 -513 338 -457 1458 -785 433 -531 814 -706 -3142 -3335 -1649 -349 1048 2554 -360 1045 2666 881 566 1136 -304 -3297 -628 2044 992 2295 677 303 -1763 -1512 248 -1063 1639 548 1740 1734 1411 -336 224 -415 -2001 -2065 -1525 498 -2067 -1296 -650 -1185 856 1511 1103 1718 1546 352 -814 -2308 -81 -1568 1488 720 1794 8 -408 -1039 -3326 -1821 -11 -724 -634 1358 -594 1379 1538 1857 862 -478 -2504 -724 -2051 -2931 -2464 800 0 742 758 646 1835 -116 -419 -411 1324 591 1318 -1545 -343 -1020 773 1403 1972 2124 1528 1616 -331 -3331 -3505 SS 20230821T145523.4Z 8633.621798 137 1 45.18 2 43.70 124.22 96.94 97.85 0.00 1 0.00 1 0 17 7.643e-03 5.475e-03 1.047e-03 5.397e-04 1.749813e-01 2.725565e-04 2.135037e-03 -6.000000e+00 4.343621e-03 231.32 -2.00 3.55 -2.00 316.11 0.00e+00 3.229953e-04 2.929153e-05 2.523799e-05 -6.000000e+00 1.929239e-04 287.48 -2.00 20.00 -2.00 315.32 0.00e+00 1.381 0.000 302.00 328.00 3 2.9752e+00 7.1254e-04 1.6422e-02 -6.0000e+00 1.0873e-02 -1.1951e-02 7.9529e-04 9.2479e-03 -6.0000e+00 1.1774e-02 3.6597e-03 4.5610e-04 4.4881e-03 -6.0000e+00 7.0130e-03 -3.3100e-03 2.1008e-04 1.2555e-03 -6.0000e+00 2.9807e-03 5.9477e-03 2.8950e-04 1.4790e-05 1.4089e-05 -6.0000e+00 1.9492e-04 2.5197e-03 2.5000e-05 10 0 0 10 0 0 99.96 18.58 0.32 0.00252 0.00470 527 163 2 8 0 85.230 14.99 18.58 31.40 21.98 21.98 19.2 1024.28 -389 -701 -126 -2075 -2524 -1676 -67 182 1307 58 -1240 -1113 -610 -342 221 385 -428 473 410 1205 612 326 701 836 243 708 354 -205 -536 470 1599 663 1874 -82 -1964 -1981 -1542 -1514 -453 -284 -713 -919 -765 -803 -450 -438 -568 -553 -905 -205 571 718 738 1079 628 936 885 547 578 331 910 1044 1394 1506 371 -368 -310 -681 273 356 347 311 267 522 208 -43 -327 -807 -339 -566 -976 -873 -1945 -1534 -1026 -654 -279 -11 464 244 455 348 71 126 423 112 462 707 229 -184 -110 -557 -735 -59 -599 -751 -676 -563 -309 253 392 284 191 78 -222 19 -26 193 182 160 -254 -10 253 122 668 321 441 862 636 335 235 66 -205 74 10 22 -89 211 -75 -180 -172 -401 -652 -84 -165 -30 -475 -499 -308 -13 38 302 14 -302 -266 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