File name: Pandora206s1_BuffaloNY_20240607_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T082613.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240607_L1_smca1c4d20220512p1-8.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: 20240607 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]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20240607T125037.1Z 8924.535152 128 1 24.01 2 57.32 88.17 64.94 74.41 0.00 1 0.00 1 0 17 2.002e-01 2.150e-02 1.736e-01 1.773e-02 3.210799e-01 8.871987e-03 3.982928e-03 -6.000000e+00 1.142643e-01 232.42 -2.00 3.55 -2.00 318.47 0.00e+00 2.402903e-04 1.773564e-03 1.003881e-03 -6.000000e+00 4.975542e-03 283.79 -2.00 20.00 -2.00 317.70 0.00e+00 1.846 0.000 302.00 328.00 3 7.9051e+00 2.4392e-02 2.5560e-02 -6.0000e+00 2.8719e-01 7.4108e-02 2.7803e-02 1.8318e-02 -6.0000e+00 3.1082e-01 9.2079e-03 1.8876e-02 8.4739e-03 -6.0000e+00 1.8456e-01 -1.0331e-02 9.8715e-03 2.4347e-03 -6.0000e+00 7.8047e-02 1.9936e-05 2.0542e-04 4.9755e-04 2.4410e-05 -6.0000e+00 5.1037e-03 -2.4875e-02 4.0848e-04 12 8 8 10 0 0 42.06 18.76 5.79 -0.02487 -0.02333 6 6 2 8 0 4000.000 15.00 18.76 22.83 22.09 22.19 22.5 1008.56 -12595 37687 53310 49573 71371 26631 146025 93780 23150 64367 56907 -7877 -19290 20540 -7351 1049 21757 19108 2259 5460 10213 -975 -5839 16718 12490 7436 11719 -2169 2690 -3140 7853 -9944 10260 -3536 11003 1203 -4329 -1522 -1527 -2073 -520 -5629 -1993 -3503 4306 1973 -5838 -9393 -1402 5525 -3424 2969 -2360 -815 -3022 -2758 385 -1236 1785 37 -8268 -96 -2469 -710 -5 4045 -1175 -3837 4955 -3337 3522 3359 1388 1741 4852 5149 4840 -4041 -4328 -611 -2212 4051 -3260 -1414 -514 3485 1670 520 398 1678 -3579 118 2803 -2054 130 -336 3471 1615 1361 60 3561 -139 -2054 -3667 1717 -461 -2270 3703 -223 200 -537 990 -2347 -1702 -1489 517 -1231 -2273 -2717 -643 1928 -764 -742 -687 2722 -105 14 500 1908 -1869 2811 -496 -629 -331 1244 424 -474 2001 625 845 -719 -961 -939 -684 1396 1778 1780 1804 992 2525 2120 1201 2397 2271 -608 -1763 1584 -808 121 2315 2186 298 728 1440 -152 -901 2379 1960 1286 1979 -398 433 -526 1274 -2103 1951 -823 2063 237 -985 -389 -471 -769 -211 -2336 -827 -1612 1821 858 -2710 -4422 -602 2219 -1598 1410 -1252 -453 -1789 -1658 230 -749 1023 21 -5278 -61 -1747 -535 -4 2727 -776 -2536 3150 -2641 2881 2881 1216 1461 3671 3472 2948 -2542 -2843 -440 -1833 3513 -3274 -1450 -559 3917 1866 608 469 1881 -4193 122 2580 -1907 125 -362 4012 1979 1793 79 4556 -169 -2355 -4361 2121 -613 -3206 5181 -317 303 -874 1623 -3849 -2591 -2233 709 -1707 -3317 -4264 -981 2917 -1253 -1186 -1051 3797 -144 18 644 2619 -2866 4359 -822 -1063 -578 2115 765 -883 3717 1187 1547 -1281 -1775 -1681 SS 20240607T135443.4Z 8924.579669 168 1 24.01 2 45.64 99.78 53.81 83.61 0.00 1 0.00 1 0 17 1.041e-01 2.419e-02 6.840e-02 1.499e-02 2.583759e-01 7.528630e-03 3.139787e-03 -6.000000e+00 5.939409e-02 232.43 -2.00 3.55 -2.00 317.80 0.00e+00 1.843096e-03 1.217922e-03 3.136207e-04 -6.000000e+00 2.586586e-03 283.80 -2.00 20.00 -2.00 317.03 0.00e+00 1.428 0.000 302.00 328.00 3 8.1849e+00 2.0297e-02 1.9968e-02 -6.0000e+00 1.4928e-01 4.0932e-02 2.2878e-02 1.4241e-02 -6.0000e+00 1.6159e-01 1.9568e-02 1.4142e-02 6.7392e-03 -6.0000e+00 9.5948e-02 -9.7000e-03 7.1414e-03 2.5277e-03 -6.0000e+00 4.0557e-02 2.5063e-05 -3.7009e-04 4.1799e-04 2.4019e-05 -6.0000e+00 2.6540e-03 -2.5004e-02 2.8226e-04 12 9 8 11 8 0 98.28 18.75 0.64 -0.02500 -0.02779 6 6 2 8 0 4000.000 15.00 18.75 25.77 22.09 22.09 22.5 1025.53 -25614 64213 3336 38770 20028 30597 14386 48230 8944 19277 31724 -1386 3509 -3593 14667 -20777 20268 -6594 7466 -9399 15265 5282 6549 568 3465 -2563 -6388 4870 -13384 10938 -4809 2533 -817 9545 647 3122 -4471 -3207 6429 -4688 1751 -2947 1978 -6361 5505 -5862 340 -10965 423 -3550 1039 1058 1056 4862 -95 12706 -540 1071 910 1188 -8902 5319 -4837 955 -2791 1379 -2096 -2833 2576 -4462 4782 2706 1876 620 3727 -1774 4178 -4798 -3590 -1912 560 1400 -958 -1516 -96 2976 720 1604 -941 1512 -1747 -32 1405 -1178 1507 -2524 1185 641 3007 1050 3805 -1873 -762 -5204 1085 -2165 -1423 1239 -103 40 1037 971 -1170 142 -5749 1565 -2476 279 -2218 733 -348 964 -646 2154 2670 -1396 868 712 1484 -747 3641 -1579 602 -1265 946 -736 -710 104 173 -151 363 -118 -67 -2854 3360 325 2614 1416 1817 1051 2774 852 1772 2528 -154 417 -514 2074 -4564 3191 -1364 1401 -2168 2915 1061 1352 127 812 -662 -1686 1120 -3401 2130 -1170 616 -224 2493 171 764 -1286 -1045 2279 -2135 824 -1513 1001 -3553 2806 -3258 180 -6139 214 -1850 544 596 626 2934 -60 7416 -367 715 594 766 -6513 3624 -3846 771 -2361 1058 -1533 -2013 1807 -3715 4141 2426 1701 549 3084 -1388 2858 -3364 -2481 -1469 472 1298 -974 -1558 -104 3371 878 2007 -1219 1844 -2027 -35 1351 -1105 1447 -2788 1400 823 4036 1411 4666 -2310 -862 -6305 1356 -2855 -1941 1727 -152 63 1654 1574 -1922 214 -8391 2037 -3332 380 -3222 1110 -546 1469 -978 3129 3635 -1889 1083 884 1961 -1078 5298 -2492 942 -2014 1568 -1308 -1290 191 322 -274 630 -198 -113 SS 20240607T140524.5Z 8924.587089 173 1 21.52 2 43.73 101.97 51.92 85.22 0.00 1 0.00 1 0 17 9.020e-03 5.544e-03 4.741e-03 1.790e-03 2.285351e-01 9.047863e-04 2.768024e-03 -6.000000e+00 5.144520e-03 232.43 -2.00 3.55 -2.00 316.97 0.00e+00 5.018511e-04 1.170590e-04 4.334590e-05 -6.000000e+00 2.241407e-04 283.80 -2.00 20.00 -2.00 316.22 0.00e+00 1.382 0.000 302.00 328.00 3 4.7259e+00 2.4015e-03 1.8351e-02 -6.0000e+00 1.2930e-02 5.8680e-03 2.6867e-03 1.2116e-02 -6.0000e+00 1.3999e-02 1.9398e-03 1.5746e-03 5.8807e-03 -6.0000e+00 8.3118e-03 -3.8025e-03 7.5457e-04 1.6555e-03 -6.0000e+00 3.5114e-03 9.1320e-04 2.9909e-05 4.9358e-05 1.7698e-05 -6.0000e+00 2.3006e-04 -2.3737e-02 1.7537e-04 12 1 1 12 1 1 99.99 18.75 0.37 -0.02374 -0.02351 56 72 2 8 0 377.360 14.99 18.75 25.85 22.09 22.19 22.5 1026.27 -2285 -431 -1758 699 -4421 -1390 -2011 1483 281 -383 -840 -842 -1506 -1105 149 241 18 -526 865 112 1478 -684 146 17 193 280 404 -1229 364 323 2009 1389 1395 362 -2136 -1374 -3051 -698 -743 -226 -773 -620 -747 -675 79 -744 -510 -628 -516 -119 975 764 947 703 643 695 1109 731 709 523 930 1147 1255 1554 196 160 -586 -514 127 672 125 571 59 745 4 147 -194 -996 -261 -819 -611 -1182 -1804 -1647 -1094 -769 -373 -222 186 252 414 268 39 80 419 174 606 873 31 -87 -227 -485 -886 49 -417 -695 -597 -536 -320 6 440 184 142 23 100 100 39 51 -7 248 -385 -23 351 197 618 375 380 1170 674 590 255 100 -16 149 -81 -68 -181 225 -203 -294 -76 -491 -568 -320 -65 -278 102 -586 -168 -258 204 44 -64 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