File name: Pandora177s1_WestportCT_20230820_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20230821T085303.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20230820_L1_smca1c3d20221101p1-8.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: 20230820 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20230820T114504.8Z 8632.489638 87 1 17.91 2 72.83 88.32 115.41 71.96 0.00 1 0.00 1 0 17 5.193e-02 9.435e-03 2.719e-02 2.108e-03 4.004172e-01 1.107809e-03 4.829809e-03 -6.000000e+00 3.133267e-02 231.45 -2.00 3.51 -2.00 319.56 0.00e+00 2.570133e-03 3.190716e-04 2.054921e-03 -6.000000e+00 1.412469e-03 289.81 -2.00 20.00 -2.00 318.72 0.00e+00 3.336 0.001 302.00 328.00 3 2.2169e+00 3.1926e-03 3.9973e-02 -6.0000e+00 7.8260e-02 -1.2691e-02 3.7758e-03 2.2928e-02 -6.0000e+00 8.4688e-02 4.7608e-03 2.7899e-03 1.1398e-02 -6.0000e+00 5.0547e-02 -1.0763e-02 1.4375e-03 3.2190e-03 -6.0000e+00 2.0988e-02 1.3117e-03 9.6589e-04 6.7890e-05 4.7132e-05 -6.0000e+00 1.5786e-03 5.4210e-02 -2.2774e-06 12 9 9 12 1 1 99.69 23.21 0.44 0.05421 0.06147 45 29 1 5 0 385.650 26.51 20.00 23.21 20.75 21.6 987.61 -23056 2116 -12442 -8977 -15558 -7981 -22378 -20731 -18393 -16969 -11962 -14756 -1662 -7724 2191 -7963 318 -1957 -1722 729 -1814 -1341 -3481 1338 -4013 -3643 -7008 -8093 -6094 -2173 2484 2098 2454 -5987 -5812 -8278 -3992 -701 -2029 194 -1100 241 -616 821 451 906 -374 -169 -785 232 1929 2331 2087 156 1206 783 -487 213 -480 656 1603 3212 3244 2886 -301 -1257 -301 40 2526 2076 1470 1559 1110 956 -497 -2077 -2970 -2567 -1667 -1415 -1891 -2432 -2648 -1245 21 261 1435 1510 1573 1143 687 -406 -1411 -214 -65 -171 330 863 -357 -661 -1624 -1531 -431 -72 -1921 -2150 -905 -540 898 918 1192 106 -27 -351 -53 171 621 545 946 542 393 728 1112 720 476 -475 -369 588 -96 -680 -988 -1251 -293 110 26 -29 713 746 422 -117 -292 -688 -337 -545 43 -299 -199 -345 -162 -570 -588 -560 -534 -374 -525 -61 -367 111 -501 20 -135 -125 54 -141 -105 -289 113 -381 -355 -699 -794 -579 -207 251 241 306 -827 -785 -1166 -601 -122 -428 46 -289 66 -177 237 132 267 -112 -51 -241 74 651 852 822 66 478 322 -206 98 -220 299 762 1492 1650 1564 -169 -680 -155 21 1429 1317 1012 1105 780 640 -311 -1202 -1623 -1406 -990 -957 -1454 -2074 -2433 -1199 19 259 1475 1581 1626 1138 700 -386 -1291 -197 -65 -177 382 1088 -477 -872 -2011 -1752 -475 -82 -2374 -2824 -1235 -777 1265 1395 1904 173 -43 -526 -81 251 920 783 1438 860 629 1135 1670 1047 720 -694 -527 866 -143 -1103 -1699 -2237 -541 213 49 -57 1448 1530 865 -235 -560 -1278 -672 SS 20230820T114933.2Z 8632.492745 90 1 45.51 2 71.98 89.05 114.65 72.80 0.00 1 0.00 1 0 17 4.913e-02 9.446e-03 7.605e-03 6.354e-04 3.863946e-01 3.340306e-04 4.674915e-03 -6.000000e+00 2.961160e-02 231.45 -2.00 3.51 -2.00 319.62 0.00e+00 2.338787e-03 9.639066e-05 2.056173e-03 -6.000000e+00 1.336680e-03 289.81 -2.00 20.00 -2.00 318.76 0.00e+00 3.189 0.001 302.00 328.00 3 7.4340e-01 9.6530e-04 3.8494e-02 -6.0000e+00 7.3956e-02 -1.0114e-02 1.1416e-03 2.2689e-02 -6.0000e+00 8.0060e-02 -1.0034e-03 8.4023e-04 1.0929e-02 -6.0000e+00 4.7781e-02 -8.2781e-03 4.3097e-04 2.8564e-03 -6.0000e+00 1.9818e-02 6.7096e-03 -1.2680e-04 2.0651e-05 3.9520e-05 -6.0000e+00 1.4935e-03 5.7354e-02 -1.6311e-04 12 8 8 10 0 0 82.77 23.22 0.30 0.05735 0.05640 549 126 1 5 0 82.880 26.62 20.00 23.22 21.03 21.7 990.11 -13299 -8769 -10509 -13173 -14328 -19114 -16184 -14861 -16149 -16587 -19011 -13039 -12516 -5229 -3567 -1686 -3802 -579 -161 -1406 -955 -2726 864 -1028 -470 -3806 -6075 -4809 -4789 -3450 -856 604 -1054 -4227 -7789 -5893 -4477 -1468 -604 -858 -488 -233 534 382 1210 430 -225 -362 -566 529 1546 1770 1540 1731 815 1297 41 -570 -579 370 1929 2980 3486 2502 379 -919 -605 167 2422 2024 1209 1452 798 661 -648 -1637 -2613 -2968 -1561 -1979 -2067 -2333 -2547 -1394 -75 519 1334 1175 1360 1113 434 -539 -1239 -263 -423 -333 538 948 34 -962 -1627 -1811 -282 -140 -1704 -1918 -1063 -678 781 1227 883 427 157 -254 -262 104 569 546 1039 191 580 791 1330 754 688 -655 -522 670 -168 -661 -1265 -1316 -431 46 183 -35 624 748 497 -38 -166 -951 -204 -312 -216 -268 -329 -338 -468 -417 -427 -515 -556 -680 -484 -545 -254 -200 -104 -258 -41 -12 -109 -76 -223 70 -91 -44 -379 -611 -463 -454 -335 -90 70 -135 -569 -1063 -802 -671 -255 -124 -202 -126 -63 149 108 345 124 -65 -106 -168 162 505 626 586 692 342 558 18 -252 -253 162 873 1455 1851 1420 220 -515 -324 91 1417 1327 783 966 527 458 -420 -974 -1466 -1678 -950 -1377 -1479 -1844 -2167 -1247 -71 518 1388 1248 1424 1120 410 -475 -1044 -223 -392 -346 620 1192 46 -1268 -2008 -2073 -310 -159 -2100 -2512 -1451 -975 1090 1835 1394 685 244 -374 -394 151 832 839 1546 298 910 1212 1959 1175 1028 -948 -739 971 -267 -1046 -2124 -2292 -774 86 364 -72 1325 1482 1065 -79 -334 -1857 -395 SS 20230820T115451.3Z 8632.496427 93 1 44.53 2 70.99 89.92 113.74 73.79 0.00 1 0.00 1 0 17 4.249e-02 9.608e-03 5.386e-03 5.340e-04 3.684493e-01 2.797852e-04 4.480065e-03 -6.000000e+00 2.560546e-02 231.45 -2.00 3.51 -2.00 319.37 0.00e+00 2.206080e-03 7.487391e-05 1.769980e-03 -6.000000e+00 1.156068e-03 289.81 -2.00 20.00 -2.00 318.50 0.00e+00 3.032 0.000 302.00 328.00 3 5.6848e-01 7.9465e-04 3.6461e-02 -6.0000e+00 6.3950e-02 -9.5335e-03 9.3127e-04 2.1054e-02 -6.0000e+00 6.9231e-02 8.9411e-04 6.6371e-04 1.0164e-02 -6.0000e+00 4.1318e-02 -9.3649e-03 3.4123e-04 2.6867e-03 -6.0000e+00 1.7135e-02 9.5048e-03 -2.3999e-04 1.7338e-05 3.4592e-05 -6.0000e+00 1.2917e-03 5.7840e-02 -1.8234e-04 12 8 8 10 0 0 60.39 23.23 0.32 0.05784 0.05604 717 165 1 5 0 62.090 26.62 20.00 23.23 21.58 21.8 994.85 -8474 -8019 -6785 -12589 -16420 -18282 -12212 -14360 -11039 -14803 -15134 -11553 -8175 -4154 -3308 -1054 -1400 -102 -892 1597 -655 -1069 -178 -670 -453 -2573 -3508 -4993 -4415 -3456 -324 205 -1033 -4587 -7450 -5360 -4486 -903 -337 -716 -893 -346 120 275 1330 386 313 -292 -415 492 1590 1611 1456 1633 460 1357 203 -489 -543 352 1810 2949 3326 2385 200 -895 -540 31 2666 1801 1228 1468 710 833 -521 -1490 -2587 -2779 -1644 -2096 -2207 -2220 -2471 -1359 -48 431 1346 1218 1401 1093 381 -649 -1348 -256 -402 -183 381 1006 -98 -945 -1598 -1810 -342 -186 -1616 -2028 -1043 -677 828 1206 945 476 183 -168 -293 162 526 494 889 255 537 800 1341 751 739 -709 -427 690 -128 -664 -1217 -1238 -385 85 143 -1 641 768 518 13 -160 -1001 -231 -234 -242 -205 -383 -484 -542 -369 -500 -407 -591 -629 -508 -407 -238 -218 -76 -109 -8 -77 141 -60 -100 -17 -68 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