File name: Pandora64s1_NewHavenCT_20240420_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240421T045453.3Z 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_20240420_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: 20240420 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 20240420T154528.2Z 8876.656577 376 1 49.24 2 32.72 149.58 132.79 23.21 0.00 1 0.00 1 0 17 1.687e-02 1.203e-02 4.970e-03 2.626e-03 2.120178e-01 1.415426e-03 2.560507e-03 -6.000000e+00 1.025134e-02 229.06 -2.00 3.52 -2.00 315.93 0.00e+00 7.516317e-04 1.462737e-04 1.180908e-04 -6.000000e+00 4.463526e-04 280.77 -2.00 20.00 -2.00 315.30 0.00e+00 1.188 0.000 302.00 328.00 3 6.5040e+00 3.6683e-03 1.6280e-02 -6.0000e+00 2.5557e-02 7.6282e-02 4.0765e-03 1.0875e-02 -6.0000e+00 2.7613e-02 -8.6825e-03 2.3432e-03 5.3324e-03 -6.0000e+00 1.6411e-02 -2.0768e-03 1.0637e-03 1.5296e-03 -6.0000e+00 6.9469e-03 1.8217e-04 2.1783e-04 8.1179e-05 1.9660e-05 -6.0000e+00 5.0188e-04 -3.5584e-03 4.9593e-05 12 9 8 11 8 0 99.99 21.42 -0.71 -0.00356 -0.00192 15 4 1 5 0 3282.480 25.90 20.00 21.42 18.45 38.3 1004.86 -57 -1793 1455 -145 -7283 -4062 -2233 230 2120 1428 -6556 537 -843 -671 1490 1572 -1418 2249 -860 2624 1988 2668 2396 1618 -608 919 -796 -1427 -1555 -3766 542 -291 1757 -593 -5741 -472 -1741 -948 -154 708 -49 -266 393 -1774 -952 667 -362 -634 -625 -2682 1206 1161 1893 723 1022 1261 1647 -31 420 8 365 1658 1894 2971 1836 -2207 -1499 -1558 567 1610 1103 934 514 371 70 -2003 -1285 -3585 -1659 -1074 -1736 -1161 -1912 -1925 -70 -432 761 752 1768 927 -45 31 -2534 -1607 -163 -37 -284 1681 1312 -300 -839 -2340 -2387 -224 -1 -1675 -129 813 527 1377 2141 842 223 17 -815 -1231 -289 -843 -66 1101 150 621 858 184 925 264 -2091 504 519 235 810 -710 -757 -369 780 343 -89 923 505 -351 -799 -1394 -13 -421 328 -30 -1474 -797 -460 51 497 343 -1671 136 -241 -215 494 552 -524 832 -336 1022 778 1028 959 680 -269 408 -348 -583 -604 -1505 219 -124 786 -265 -2532 -206 -859 -516 -98 478 -35 -198 297 -1363 -724 493 -262 -448 -432 -1921 880 891 1507 581 829 1039 1361 -26 342 7 315 1512 1753 2809 1740 -1994 -1285 -1327 518 1547 1125 976 528 364 66 -1734 -1067 -2974 -1457 -999 -1714 -1239 -2070 -2198 -84 -532 965 966 2218 1105 -52 34 -2638 -1665 -178 -42 -344 2162 1720 -383 -1013 -2779 -2791 -273 -1 -2216 -171 1105 755 1982 3141 1225 320 23 -1047 -1590 -363 -1114 -90 1542 213 861 1199 245 1168 332 -2589 629 661 314 1119 -1009 -1064 -540 1154 527 -140 1463 797 -541 -1205 -2124 SS 20240420T160016.7Z 8876.666860 382 1 30.07 2 31.44 155.97 131.69 27.79 0.00 1 0.00 1 0 17 1.163e-02 8.972e-03 2.940e-03 1.801e-03 1.958782e-01 9.778024e-04 2.369235e-03 -6.000000e+00 7.068387e-03 229.07 -2.00 3.52 -2.00 315.39 0.00e+00 3.579236e-04 9.006669e-05 7.867494e-05 -6.000000e+00 3.077594e-04 280.77 -2.00 20.00 -2.00 314.80 0.00e+00 1.171 0.000 302.00 328.00 3 5.4720e+00 2.5198e-03 1.5571e-02 -6.0000e+00 1.7622e-02 4.8879e-02 2.7906e-03 1.0031e-02 -6.0000e+00 1.9039e-02 -2.0030e-03 1.5979e-03 4.9174e-03 -6.0000e+00 1.1316e-02 -3.8175e-03 7.1087e-04 1.3744e-03 -6.0000e+00 4.7901e-03 5.4337e-04 1.6420e-04 5.5599e-05 1.9067e-05 -6.0000e+00 3.4604e-04 -3.8160e-03 4.7537e-05 12 9 1 12 1 1 99.99 21.44 0.20 -0.00382 -0.00258 17 7 1 5 0 1670.390 25.90 20.00 21.44 18.50 38.1 1004.49 1173 -1341 1262 -3318 -2835 -2623 -31 -180 1676 77 -2487 -1652 437 -875 908 121 -212 845 704 1363 1647 -443 2116 940 679 884 -68 -1461 -828 -1307 1800 170 2336 -635 -4189 -2792 -1949 -974 339 312 -785 -707 -7 -1305 -443 426 -573 -86 -1078 -555 1050 853 1271 1216 235 1022 832 813 219 467 656 1633 1136 2433 707 -1215 -1003 -1469 276 1720 504 764 78 637 -310 -1289 -1557 -2320 -1127 -68 -1408 -1355 -2076 -1867 -263 -229 324 316 1085 533 176 213 -1427 -866 638 402 70 1570 819 -436 -277 -1644 -1931 -103 132 -1258 -115 -168 141 434 1225 694 422 7 -215 -588 413 -424 502 533 257 -98 861 94 687 650 -1085 431 694 64 313 -737 -880 -364 528 -88 -86 312 415 -389 32 -929 316 -383 349 -862 -706 -652 -8 -49 483 23 -742 -518 149 -320 361 51 -92 375 320 635 765 -208 1004 448 335 443 -33 -705 -376 -597 839 84 1147 -313 -2107 -1447 -1064 -585 226 234 -601 -559 -6 -1053 -353 333 -436 -66 -817 -424 801 685 1060 1015 201 881 724 699 187 403 589 1495 1106 2411 677 -1128 -886 -1292 261 1708 515 798 80 649 -293 -1151 -1342 -1962 -1014 -65 -1429 -1438 -2323 -2122 -306 -282 400 395 1374 640 202 232 -1518 -917 686 455 84 2007 1036 -554 -331 -1926 -2236 -126 165 -1603 -153 -224 196 611 1758 978 582 9 -272 -720 511 -554 675 725 353 -133 1162 121 869 811 -1324 535 877 85 418 -1006 -1231 -512 756 -131 -130 481 635 -582 46 -1366 SS 20240420T160841.1Z 8876.672698 385 1 9.84 2 30.84 159.78 130.98 30.31 0.00 1 0.00 1 0 17 1.159e-02 8.532e-03 1.522e-03 1.040e-03 1.919636e-01 5.667102e-04 2.345555e-03 -6.000000e+00 7.041092e-03 229.07 -2.00 3.52 -2.00 314.95 0.00e+00 2.585673e-04 4.769900e-05 2.985825e-05 -6.000000e+00 3.065587e-04 280.77 -2.00 20.00 -2.00 314.39 0.00e+00 1.164 0.000 302.00 328.00 3 3.4514e+00 1.4538e-03 1.5412e-02 -6.0000e+00 1.7554e-02 3.4292e-02 1.6074e-03 9.8891e-03 -6.0000e+00 1.8965e-02 -2.8759e-03 9.2000e-04 4.8562e-03 -6.0000e+00 1.1271e-02 -2.3627e-03 4.0242e-04 1.3601e-03 -6.0000e+00 4.7719e-03 4.1886e-03 -2.7515e-06 3.1933e-05 1.9454e-05 -6.0000e+00 3.4466e-04 -4.3049e-03 5.1882e-05 12 9 1 12 1 1 99.86 21.45 0.18 -0.00430 -0.00433 29 35 1 5 0 327.880 25.90 19.99 21.45 18.84 38.0 1006.85 976 -694 853 -2803 -5024 -1731 -226 884 1802 685 -3427 -1598 200 -48 1344 845 -767 1023 749 1950 1008 -298 1111 1062 266 1160 359 -1132 -558 -38 1884 104 2278 60 -4712 -2698 -1598 -937 103 -189 -971 -1077 -137 -993 -500 82 -662 -94 -486 -380 1093 1030 801 1343 381 657 1043 740 308 230 408 1185 1319 2100 403 -1288 -390 -1683 585 1476 257 498 95 664 146 -797 -859 -2190 -646 -350 -1167 -765 -2158 -2075 -499 -323 147 214 840 556 257 442 -1019 34 948 361 -151 1141 647 -435 -324 -1462 -1574 274 534 -1390 -270 -846 -242 337 889 453 166 14 -121 -226 555 -147 556 483 45 -236 792 -128 930 956 -734 521 896 380 503 -435 -699 -484 466 -227 -481 425 212 -454 -111 -796 315 -235 283 -865 -1566 -522 -72 283 618 242 -1231 -595 81 -20 616 411 -360 489 367 973 508 -151 575 573 149 657 199 -588 -273 -20 942 55 1261 33 -2559 -1497 -917 -622 75 -146 -758 -868 -112 -813 -405 65 -541 -74 -376 -298 892 837 681 1183 343 570 909 673 278 211 369 1138 1275 2077 386 -1202 -362 -1566 553 1459 272 514 101 673 144 -751 -748 -1879 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