File name: Pandora177s1_WestportCT_20231111_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033814.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231111_L1_smca1c7d20230401p1-8.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: 20231111 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20231111T133209.9Z 8715.564003 145 1 49.16 2 72.58 133.70 57.57 150.05 0.00 1 0.00 1 0 25 1.015e-01 1.283e-02 8.805e-02 5.245e-03 3.785440e-01 2.758115e-03 4.950760e-03 -6.000000e+00 5.959347e-02 223.55 -2.00 3.51 -2.00 319.92 0.00e+00 2.379809e-03 8.589461e-04 2.780516e-03 -6.000000e+00 2.642334e-03 280.85 -2.00 20.00 -2.00 319.29 0.00e+00 3.292 0.001 302.00 328.00 3 4.1449e+00 7.9789e-03 3.9553e-02 -6.0000e+00 1.4669e-01 -4.6262e-02 9.5145e-03 2.4231e-02 -6.0000e+00 1.5909e-01 2.9147e-02 7.7504e-03 1.2327e-02 -6.0000e+00 9.4960e-02 -1.9207e-02 4.0219e-03 3.5344e-03 -6.0000e+00 4.0925e-02 2.0844e-04 1.4594e-04 1.7056e-04 5.9527e-05 -6.0000e+00 2.9826e-03 1.1356e-03 0.0000e+00 12 9 9 12 1 1 99.98 23.07 0.59 0.00114 0.00223 31 7 1 5 0 1535.930 26.41 19.98 23.07 10.17 22.0 920.08 25844 -34903 42314 -2705 -22783 14515 -47301 -6938 -47861 14248 -43967 5836 5894 5625 3351 1064 5099 -19115 16504 -10286 24557 -874 12703 -9828 -263 10988 -4608 -338 -12763 -7526 -7194 1752 -9381 -4032 -1212 -9540 -3652 -6994 2663 -3460 3415 -1305 3344 -768 -71 -565 -1913 2780 -2797 2162 1589 4688 971 -1000 1036 1006 1530 -832 1248 -2355 5031 4690 2905 4325 -99 1392 -2455 1761 1162 2993 1874 1323 604 908 403 -4292 -1623 -4338 -473 -3802 -2349 -2014 -3275 474 -651 566 595 2307 248 1906 -105 -1732 -2923 -1558 -519 -1425 2065 1656 208 -310 -1149 -1890 -1602 -139 -2498 -1233 -1774 405 1206 2113 1049 899 744 -674 51 -1165 -110 -133 1067 62 504 1075 954 1245 -150 -451 -1063 586 -154 -94 -1254 -1704 -705 -440 6 -327 1233 919 992 203 -683 -1067 319 -872 527 -50 -481 209 -1376 -153 -1744 291 -1672 149 179 207 148 54 267 -1363 870 -740 1272 -59 776 -804 -21 801 -387 -26 -1110 -647 -688 173 -1125 -464 -132 -1147 -465 -1104 456 -721 727 -308 778 -190 -18 -142 -487 677 -731 562 449 1397 322 -356 375 376 576 -318 462 -912 1909 1956 1353 2104 -50 658 -1155 817 600 1700 1158 844 382 543 223 -2403 -828 -2295 -265 -2363 -1627 -1530 -2697 399 -592 543 599 2322 251 1813 -94 -1561 -2539 -1370 -495 -1446 2267 2001 266 -389 -1341 -2050 -1807 -152 -2985 -1540 -2340 553 1761 3296 1739 1504 1203 -1035 73 -1629 -155 -197 1666 101 826 1708 1468 1840 -230 -662 -1539 872 -236 -156 -2217 -3126 -1332 -876 12 -717 2727 2063 2212 442 -1435 -2172 SS 20231111T133631.3Z 8715.567029 148 1 3.86 2 71.99 134.60 57.19 151.21 0.00 1 0.00 1 0 17 7.467e-02 1.434e-02 8.331e-02 8.835e-03 3.704056e-01 4.578473e-03 4.636320e-03 -6.000000e+00 4.384388e-02 223.55 -2.00 3.51 -2.00 319.03 0.00e+00 1.346095e-03 1.093329e-03 1.711414e-03 -6.000000e+00 1.943742e-03 280.85 -2.00 20.00 -2.00 318.37 0.00e+00 3.191 0.001 302.00 328.00 3 3.6441e+00 1.2558e-02 3.7339e-02 -6.0000e+00 1.0792e-01 -2.5925e-02 1.4506e-02 2.0491e-02 -6.0000e+00 1.1704e-01 -5.6507e-03 1.0584e-02 1.0277e-02 -6.0000e+00 6.9862e-02 -1.8312e-04 5.5713e-03 2.9617e-03 -6.0000e+00 3.0112e-02 3.8322e-04 4.0973e-04 2.7449e-04 3.6396e-05 -6.0000e+00 2.1940e-03 2.9796e-04 0.0000e+00 12 9 9 12 1 1 999.00 23.06 0.26 0.00030 0.00338 2 9 1 5 0 1282.930 26.41 20.02 23.06 10.42 21.9 921.53 -36750 -6117 -507 -14067 39277 -11772 7321 -12253 -358 -25305 -10191 -35211 -23757 -1231 9105 5265 7162 1204 -10750 -4474 -5602 -2810 -3377 -2309 7648 -8155 9920 -9154 174 -5303 -2864 891 386 9226 -13195 -3889 -8917 -4226 -3304 -990 -728 -2323 5095 2696 6220 -143 941 -641 -4138 3271 654 -85 882 7951 378 650 1233 -1049 -1867 -244 3958 4718 3990 4142 1415 -2455 -2778 2073 1622 1642 -237 2609 323 841 -656 -2578 -5314 -2414 -3245 -1799 -1603 -2958 -1999 376 -227 1193 961 760 1410 160 1008 -601 -3192 -765 -453 162 466 841 -1410 497 -1208 -1817 -1431 -723 -1088 -2031 -378 -1045 -110 2011 1688 1372 -232 -19 -438 -657 -594 663 581 612 940 509 2329 1072 421 -961 -1151 1386 -589 -746 -876 -1275 -253 107 387 -648 1889 648 87 -619 674 -1998 -1527 -205 -16 -485 782 -387 217 -501 -14 -1349 -483 -2212 -1565 -82 637 425 609 115 -1149 -467 -602 -296 -371 -269 914 -1103 1170 -1257 21 -708 -413 139 62 1445 -2360 -685 -1744 -947 -876 -293 -235 -802 1681 923 2074 -51 331 -229 -1547 1185 262 -35 387 3421 182 322 614 -530 -938 -122 1991 2574 2398 2626 916 -1560 -1695 1238 1077 1155 -183 2006 250 614 -447 -1711 -3387 -1506 -2242 -1326 -1332 -2602 -1864 363 -236 1303 1051 847 1538 178 1027 -574 -2975 -713 -462 184 562 1057 -1888 635 -1520 -2126 -1632 -858 -1386 -2639 -507 -1494 -160 3090 2733 2242 -372 -29 -643 -935 -860 999 892 977 1500 796 3617 1624 614 -1358 -1597 1957 -924 -1214 -1499 -2167 -442 197 720 -1271 3699 1298 174 -1210 1295 -3804 SS 20231111T134042.2Z 8715.569933 151 1 48.80 2 71.43 135.48 56.84 152.34 0.00 1 0.00 1 0 25 4.110e-02 1.045e-02 5.043e-03 5.275e-04 3.610302e-01 2.732597e-04 4.470766e-03 -6.000000e+00 2.412987e-02 223.55 -2.00 3.51 -2.00 319.22 0.00e+00 2.420106e-03 6.903201e-05 1.483114e-03 -6.000000e+00 1.069838e-03 280.85 -2.00 20.00 -2.00 318.55 0.00e+00 3.101 0.000 302.00 328.00 3 7.1436e-01 7.5568e-04 3.6174e-02 -6.0000e+00 5.9394e-02 -1.9666e-02 8.7692e-04 1.9325e-02 -6.0000e+00 6.4415e-02 5.1789e-03 6.5434e-04 1.0277e-02 -6.0000e+00 3.8450e-02 -9.2226e-03 3.4530e-04 3.4371e-03 -6.0000e+00 1.6572e-02 7.8422e-03 9.2235e-05 1.6608e-05 4.3085e-05 -6.0000e+00 1.2076e-03 7.7038e-04 0.0000e+00 12 8 8 10 0 0 99.85 23.06 0.31 0.00077 0.00146 708 163 1 5 0 68.910 26.41 19.98 23.06 10.75 22.1 923.69 -7854 -5983 -9497 -13264 -12751 -15652 -11860 -11432 -12485 -15609 -15317 -12373 -8217 -4035 -2663 -1079 -886 537 450 2009 -618 -1073 -331 -189 -1333 -2711 -3149 -4080 -3809 -2786 -371 98 -1 -4838 -7119 -5432 -4599 -1702 -948 -1192 -936 -49 309 569 1458 944 574 -143 -214 396 1371 1417 1674 1629 900 1718 104 -490 -624 220 1441 2922 3482 2736 481 -760 -906 -493 2059 1510 1139 1547 1043 1006 -373 -1699 -2796 -3242 -2060 -2239 -2142 -2320 -2663 -1406 -242 520 1435 1344 1681 1199 363 -1000 -1889 -887 -755 -302 671 1328 421 -551 -1620 -2013 -766 -442 -1719 -1802 -986 -711 864 1393 1251 739 383 -288 -629 -393 40 258 909 349 675 877 1334 753 705 -858 -639 507 -112 -417 -971 -1251 -517 -20 200 87 718 839 603 -12 -344 -1192 -233 -191 -318 -435 -386 -480 -379 -412 -496 -666 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