File name: Pandora206s1_BuffaloNY_20230206_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T051427.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- 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_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230206_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: 20230206 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 20230206T164515.3Z 8437.698094 329 1 28.00 2 59.41 167.68 117.66 335.65 0.00 1 0.00 1 0 17 1.031e-01 1.989e-02 9.255e-02 1.308e-02 3.234308e-01 6.365753e-03 3.852971e-03 -6.000000e+00 5.679721e-02 224.34 -2.00 3.55 -2.00 318.42 0.00e+00 2.491958e-03 1.229530e-03 1.782717e-04 -6.000000e+00 2.441936e-03 272.40 -2.00 20.00 -2.00 317.88 0.00e+00 1.957 0.000 302.00 328.00 3 7.5845e+00 1.7074e-02 2.5322e-02 -6.0000e+00 1.4055e-01 9.8479e-02 1.9456e-02 1.6833e-02 -6.0000e+00 1.5367e-01 2.5576e-02 1.3482e-02 8.3278e-03 -6.0000e+00 9.1227e-02 -1.6176e-02 7.1644e-03 3.2733e-03 -6.0000e+00 3.8602e-02 2.4585e-05 -2.5137e-04 3.6328e-04 2.8966e-05 -6.0000e+00 2.6303e-03 6.6686e-03 -5.5817e-05 12 8 8 10 0 0 -2.39 17.56 1.27 0.00667 0.00478 7 7 2 8 0 4000.000 14.99 17.56 7.08 21.17 20.96 14.3 958.78 5093 44938 9086 45871 -7993 19376 -6532 45712 984 25497 51452 18743 16688 -5037 22464 -2778 26286 -3279 74 -3431 25979 452 22996 5131 2503 -1945 -3830 5044 -4582 1631 -3372 7271 -229 1026 -6765 -3306 -5441 8813 2937 -3203 7358 -4274 5760 -3632 -11591 -4124 -8502 -14683 5462 -137 -931 764 -1525 572 5710 -1168 -23 -487 -3070 351 -1187 3990 1195 7568 989 788 -1898 -368 344 -2665 4108 1211 1786 382 2132 -2567 -737 16 -3198 -4045 66 595 -3570 453 1109 -628 5048 2268 -339 2974 -914 1381 -863 -2216 -3574 184 772 478 1984 903 1086 -2776 -883 -2164 249 -2200 -399 -304 -1695 1250 1101 1401 -1972 -1104 -927 -113 870 -435 -857 -378 -737 1156 1795 -448 483 -1356 130 36 2731 137 946 -1683 27 -478 860 -2189 1258 46 985 1343 343 -1197 -855 258 1684 504 1680 -427 773 -362 1731 63 1332 2097 1091 1171 -518 2060 -356 2725 -468 11 -535 3149 69 2916 825 430 -364 -729 821 -773 266 -639 1354 -51 230 -1497 -705 -1323 2168 926 -1216 2802 -1846 2334 -1629 -5638 -1874 -3975 -7199 2239 -61 -447 388 -812 316 3172 -685 -13 -294 -1848 204 -729 2531 829 5294 726 547 -1281 -242 244 -2161 3369 1054 1522 314 1625 -1825 -470 10 -2198 -3215 57 545 -3604 459 1200 -737 5851 2690 -411 3405 -994 1385 -816 -2106 -3739 201 936 630 2690 1227 1369 -3313 -1002 -2546 311 -2935 -548 -438 -2541 1958 1825 2326 -3235 -1665 -1317 -151 1162 -618 -1313 -590 -1155 1787 2680 -650 657 -1848 166 47 3807 203 1469 -2755 44 -822 1512 -4130 2333 88 1862 2427 600 -2101 -1466 SS 20230206T175223.4Z 8437.744715 359 1 28.01 2 58.78 186.53 121.07 353.02 0.00 1 0.00 1 0 17 8.962e-02 1.509e-02 6.878e-02 1.115e-02 3.238715e-01 5.439898e-03 3.929698e-03 -6.000000e+00 4.936538e-02 224.34 -2.00 3.55 -2.00 318.20 0.00e+00 2.319154e-03 9.831966e-04 2.176206e-04 -6.000000e+00 2.122079e-03 272.40 -2.00 20.00 -2.00 317.66 0.00e+00 1.922 0.000 302.00 328.00 3 7.4088e+00 1.4520e-02 2.5161e-02 -6.0000e+00 1.2216e-01 1.3749e-01 1.6506e-02 1.6958e-02 -6.0000e+00 1.3355e-01 1.9807e-03 1.1020e-02 8.3602e-03 -6.0000e+00 7.9282e-02 -9.2868e-03 5.7880e-03 3.1098e-03 -6.0000e+00 3.3557e-02 2.9990e-05 -4.3928e-04 3.0885e-04 2.9118e-05 -6.0000e+00 2.2851e-03 6.2599e-03 9.8804e-06 12 8 8 10 0 0 -218.31 17.56 1.38 0.00626 0.00296 7 7 2 8 0 4000.000 14.99 17.56 8.77 21.17 20.96 14.3 970.27 -34336 32503 21305 43396 21020 10223 23054 56661 9614 7999 14572 17942 -6426 6241 4377 -4860 15313 -3334 2625 -332 14585 -9165 9803 -4642 2815 -4260 -3142 7726 1671 -3244 1609 223 -5957 -198 -1952 1331 -2574 -46 -112 -814 4659 -3171 1209 281 3831 -6838 -5327 -10182 2794 1388 160 996 -772 145 2311 -73 2854 -1081 -1332 -1551 -1359 2695 1031 4742 193 1323 -3088 -767 602 -2389 3660 612 1452 1365 1145 -1470 -1535 -483 -135 -2579 102 465 -3577 724 398 -664 24 1497 -386 2373 -665 -63 -1329 -1357 -1077 49 947 2215 1031 707 336 -458 -1277 -1971 42 -2107 6 -824 764 700 1231 1332 -706 -561 -348 -868 -3077 -1011 -1612 1217 -188 1904 19 -478 -57 1135 -1335 1213 999 -737 1178 -124 53 -114 106 -1050 1299 -354 1428 -106 -600 -96 -788 -2877 1585 1200 1816 963 509 1112 2176 637 564 941 1182 -635 640 535 -707 1968 -544 422 -57 2187 -1706 1557 -902 529 -893 -650 1339 289 -602 313 48 -1511 -49 -444 291 -650 -13 -39 -332 1945 -1445 546 129 1748 -3388 -2635 -5204 1242 635 80 529 -428 84 1352 -44 1766 -665 -824 -956 -870 1798 744 3544 149 950 -2189 -523 439 -1992 3113 554 1283 1148 911 -1068 -1017 -306 -92 -2065 87 437 -3699 747 443 -774 29 1830 -479 2718 -739 -63 -1289 -1300 -1083 54 1164 2912 1436 953 422 -544 -1434 -2341 54 -2764 9 -1173 1131 1083 2004 2180 -1128 -854 -484 -1181 -4316 -1415 -2435 1886 -296 2864 28 -700 -79 1476 -1739 1584 1380 -1109 1782 -196 85 -190 188 -1914 2351 -666 2627 -196 -1065 -163 -1314 SS 20230206T185302.8Z 8437.786838 386 1 28.01 2 61.60 203.06 121.04 9.39 0.00 1 0.00 1 0 17 4.075e-02 1.006e-02 3.836e-02 6.443e-03 3.297349e-01 3.138783e-03 3.983278e-03 -6.000000e+00 2.243762e-02 224.34 -2.00 3.55 -2.00 318.28 0.00e+00 1.213837e-03 5.833126e-04 1.778472e-04 -6.000000e+00 9.647047e-04 272.40 -2.00 20.00 -2.00 317.73 0.00e+00 2.093 0.000 302.00 328.00 3 6.6037e+00 8.3949e-03 2.6540e-02 -6.0000e+00 5.5525e-02 7.2309e-02 9.5545e-03 1.7021e-02 -6.0000e+00 6.0708e-02 2.3020e-02 6.4547e-03 8.4547e-03 -6.0000e+00 3.6040e-02 -1.9736e-02 3.3958e-03 2.6621e-03 -6.0000e+00 1.5249e-02 5.8711e-05 -1.1714e-04 1.7779e-04 2.6477e-05 -6.0000e+00 1.0391e-03 7.5113e-03 -4.0175e-05 12 9 8 11 8 0 98.58 17.56 0.37 0.00751 0.00663 7 7 4 8 0 4000.000 15.00 17.56 8.84 21.17 20.96 14.3 970.75 -13826 20311 18617 979 -2723 13116 6385 -5569 3874 -12038 11625 2193 -53 242 -5875 2171 1377 4409 -8616 4767 3150 3733 -1059 -1686 -6145 8437 -1217 13436 42 -3767 723 -1346 -377 -4080 -4482 -7376 -1449 -2228 1349 -2666 2061 -2599 391 -1998 212 -2537 526 -2618 450 865 -1853 752 -926 1768 1567 2849 731 364 -822 -131 1172 3320 2523 2323 1683 -10 -1534 -820 1115 -4056 2390 886 1490 1012 445 167 -1632 -933 -2777 -1031 -366 -764 -2967 95 -927 -120 -14 583 56 782 405 17 -458 -640 -472 206 1274 515 1002 77 310 -889 -1646 -872 -74 -1399 -736 250 148 866 195 1057 -438 -42 -1163 -521 -1643 -263 -43 148 460 -433 826 -404 705 -111 280 613 1046 212 424 98 750 403 -3 -466 71 439 557 35 -443 -567 -1220 -836 961 925 54 -141 572 322 -346 253 -938 726 160 -5 24 -728 277 186 610 -1424 718 489 567 -176 -301 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