File name: Pandora177s1_WestportCT_20230608_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T121121.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230608_L1_smca1c5d20230401p1-8.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: 20230608 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230608T113343.2Z 8559.481750 233 1 47.80 2 67.68 78.54 71.34 216.00 0.00 1 0.00 1 0 25 1.595e-01 1.208e-02 1.810e-01 5.799e-03 4.230312e-01 3.156922e-03 5.406679e-03 -6.000000e+00 9.689060e-02 232.52 -2.00 3.51 -2.00 320.14 0.00e+00 2.507304e-03 1.044196e-03 3.234771e-03 -6.000000e+00 4.239703e-03 285.90 -2.00 20.00 -2.00 319.43 0.00e+00 2.611 0.000 302.00 328.00 3 4.8864e+00 9.4205e-03 3.7049e-02 -6.0000e+00 2.4319e-01 -6.2367e-02 1.1390e-02 2.8507e-02 -6.0000e+00 2.6177e-01 1.6280e-02 9.3832e-03 1.3988e-02 -6.0000e+00 1.5560e-01 -1.6727e-02 4.7887e-03 3.6649e-03 -6.0000e+00 6.6179e-02 1.7488e-04 1.0541e-03 1.8627e-04 6.2795e-05 -6.0000e+00 4.6971e-03 5.8332e-05 0.0000e+00 12 8 8 10 0 0 38.66 23.20 0.65 0.00006 0.00798 22 5 1 5 0 2172.360 26.62 20.00 23.20 18.38 20.6 981.61 56713 -44439 -14080 30620 62721 -7007 43974 -58132 99258 -48821 36541 28121 -34445 30857 -3855 -5860 -21826 -12773 -11260 1684 7324 1189 8476 3550 -6319 -10684 -1997 -14282 -10860 6353 -5277 1358 13792 -8882 -3493 1170 -3012 -5768 -6582 -1664 -364 -1305 3948 2928 26 -720 -2039 -3024 -2126 -293 752 964 112 4423 -818 32 386 2031 -382 1359 4000 4704 3366 3430 2845 -1641 -613 1285 2985 2847 -1288 2028 1338 851 -1548 619 -4544 -3075 -5305 -3493 -723 -1659 -2549 -266 512 -456 2002 1474 877 2266 896 -1163 -2934 4 -1343 -868 -36 1017 949 -515 -2070 -1682 -1229 -677 -1896 -1303 -1018 -755 2018 1568 732 780 -236 87 -653 -1098 -291 -272 1237 677 808 683 1843 777 -240 -1047 -1237 548 -118 -205 -1202 -1515 -396 202 199 107 617 1102 857 -34 -436 -1566 377 -902 -215 285 396 -89 366 -1527 594 -1348 450 421 -1157 657 -137 -240 -1140 -654 -603 83 370 65 446 211 -442 -804 -136 -1070 -779 404 -425 117 1140 -935 -339 111 -335 -795 -1096 -302 -71 -274 813 621 6 -162 -467 -704 -501 -71 197 275 35 1382 -280 11 137 702 -133 471 1426 1829 1458 1578 1315 -754 -269 572 1452 1553 -788 1231 803 485 -830 294 -2139 -1448 -2827 -2099 -479 -1223 -2033 -220 449 -431 1935 1455 858 2086 777 -950 -2490 4 -1194 -867 -40 1230 1198 -642 -2422 -1806 -1367 -733 -2222 -1606 -1316 -1032 2895 2445 1214 1306 -385 134 -944 -1547 -414 -408 1942 1108 1321 1087 2801 1225 -366 -1538 -1789 816 -193 -344 -2145 -2811 -758 406 423 237 1395 2505 1940 -75 -922 -3221 SS 20230608T114413.7Z 8559.489047 236 1 48.97 2 65.74 80.11 72.46 218.21 0.00 1 0.00 1 0 25 9.072e-02 1.156e-02 5.690e-02 3.648e-03 3.965197e-01 1.978488e-03 4.952006e-03 -6.000000e+00 5.511294e-02 232.52 -2.00 3.51 -2.00 319.84 0.00e+00 3.064219e-03 5.901032e-04 2.301696e-03 -6.000000e+00 2.412048e-03 285.90 -2.00 20.00 -2.00 319.11 0.00e+00 2.416 0.000 302.00 328.00 3 4.4855e+00 5.7541e-03 3.3329e-02 -6.0000e+00 1.3833e-01 -3.7157e-02 6.8158e-03 2.3601e-02 -6.0000e+00 1.4891e-01 2.7057e-03 5.2807e-03 1.2271e-02 -6.0000e+00 8.8511e-02 -1.2467e-02 2.7198e-03 3.7612e-03 -6.0000e+00 3.7639e-02 3.2194e-04 4.0867e-04 1.1725e-04 5.5898e-05 -6.0000e+00 2.6723e-03 1.1263e-03 0.0000e+00 12 9 8 11 8 0 80.82 23.17 0.66 0.00113 0.00420 35 8 1 5 0 1398.990 26.51 20.00 23.17 18.80 20.7 984.04 -28976 -17585 37214 -34998 42466 -28186 -3481 -11868 17766 -29496 -36913 -1986 -25426 2239 -20206 15506 -6737 3074 1906 1753 -59 -4654 8749 -3084 5828 -4038 -2030 -4029 -1871 1712 -1119 1185 -7052 -4169 -8214 3041 -7270 -1095 -1451 -2634 3600 -5592 2081 -154 2108 -602 1081 -3013 -2336 2473 -8 2270 1637 3871 920 1018 1143 -500 -548 -741 1789 1096 3845 3220 2420 107 -1090 -437 1282 1945 1004 3785 149 1831 -1033 -2675 -2108 -5138 -1647 -3401 -846 -2547 -1778 -1775 -151 96 1158 1806 1740 2334 46 -777 -2510 -825 -801 -199 525 699 613 -1399 -806 -2717 -393 -737 -791 -1964 -1171 -496 841 1727 1297 843 103 -753 -273 -1051 349 52 873 38 1008 650 1126 810 684 -831 -1488 454 -164 -304 -1145 -1178 -868 147 237 68 1155 527 830 -53 -263 -1508 -693 -415 517 -951 494 -656 -69 -288 350 -973 -1361 -57 -1102 89 -1183 712 -418 185 123 118 -4 -343 583 -246 452 -355 -173 -339 -152 140 -105 123 -866 -504 -1004 337 -1001 -170 -270 -566 795 -1430 509 -39 532 -157 278 -809 -632 667 -2 720 560 1363 346 394 447 -197 -213 -291 723 489 1829 1634 1233 53 -522 -214 681 1150 644 2426 97 1115 -595 -1418 -1142 -2893 -984 -2153 -591 -1990 -1475 -1562 -140 94 1182 1863 1770 2253 42 -662 -2068 -685 -728 -203 594 866 793 -1802 -954 -3018 -416 -817 -938 -2493 -1548 -689 1240 2722 2162 1423 169 -1168 -394 -1481 493 78 1374 64 1651 1042 1733 1205 974 -1146 -2024 632 -250 -504 -2016 -2145 -1640 291 495 148 2551 1185 1847 -116 -548 -3060 SS 20230608T115431.7Z 8559.496200 242 1 48.31 2 63.82 81.66 73.62 220.32 0.00 1 0.00 1 0 25 5.532e-02 1.158e-02 2.814e-02 2.452e-03 3.731322e-01 1.316098e-03 4.584702e-03 -6.000000e+00 3.360757e-02 232.53 -2.00 3.51 -2.00 319.38 0.00e+00 1.810313e-03 3.461196e-04 1.866588e-03 -6.000000e+00 1.470716e-03 285.90 -2.00 20.00 -2.00 318.63 0.00e+00 2.253 0.000 302.00 328.00 3 4.1046e+00 3.7269e-03 3.0894e-02 -6.0000e+00 8.4353e-02 -3.8080e-02 4.3325e-03 2.1599e-02 -6.0000e+00 9.0800e-02 2.9412e-03 3.1981e-03 1.0638e-02 -6.0000e+00 5.3972e-02 -1.0437e-02 1.6643e-03 2.9307e-03 -6.0000e+00 2.2953e-02 5.7122e-04 6.6094e-04 7.7574e-05 3.6344e-05 -6.0000e+00 1.6294e-03 5.8643e-04 0.0000e+00 12 9 8 11 8 0 36.46 23.15 0.61 0.00059 0.00555 53 12 1 5 0 911.190 26.51 20.00 23.15 19.33 20.6 987.40 -4287 -14977 8014 -14023 6787 -33867 2262 -19549 -10398 -2273 -26603 -10366 -13999 5716 -7214 4401 -9653 565 -2894 352 7897 -6812 3584 -4683 6233 -4466 -1855 -2953 -8523 1398 -2379 3140 -3317 -1543 -8775 -5754 -7410 -966 -1788 -918 428 -422 1774 -71 2063 1591 155 -204 -3033 1655 160 3172 1120 2510 269 1790 -323 -685 564 -487 2489 2180 4538 1967 757 -811 -1644 -552 1982 2342 158 2427 425 1566 -1207 -2324 -3516 -4196 -1469 -3133 -1346 -2859 -2034 -1551 344 641 1118 1792 1740 1673 162 103 -2568 -886 -783 -532 750 748 663 -692 -1046 -2434 -848 -916 -1897 -1797 -1424 -33 927 1931 1374 1045 108 -298 -616 -806 156 53 1347 212 974 686 1089 517 372 -660 -1066 726 -225 -133 -1080 -1086 -568 -204 258 -288 925 769 791 -81 -309 -1380 -102 -433 186 -384 140 -1038 53 -642 -341 -79 -1105 -441 -726 291 -486 294 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