File name: Pandora177s1_WestportCT_20231017_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033656.2Z 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_20231017_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: 20231017 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 20231017T131012.8Z 8690.548759 105 1 19.15 2 69.50 123.71 100.64 110.92 0.00 1 0.00 1 0 17 4.005e-02 1.064e-02 2.613e-02 3.563e-03 3.417517e-01 1.858600e-03 4.153343e-03 -6.000000e+00 2.374482e-02 225.75 -2.00 3.51 -2.00 318.85 0.00e+00 1.884909e-03 4.187558e-04 1.085873e-03 -6.000000e+00 1.055729e-03 283.92 -2.00 20.00 -2.00 318.11 0.00e+00 2.826 0.000 302.00 328.00 3 3.8099e+00 5.0848e-03 3.3297e-02 -6.0000e+00 5.8677e-02 1.5886e-02 5.8408e-03 1.7983e-02 -6.0000e+00 6.3477e-02 -4.0050e-04 4.0743e-03 9.1929e-03 -6.0000e+00 3.7899e-02 -8.8615e-03 2.1390e-03 2.8534e-03 -6.0000e+00 1.6333e-02 4.6318e-04 1.6567e-04 1.1154e-04 3.3365e-05 -6.0000e+00 1.1772e-03 -9.1833e-03 0.0000e+00 12 9 9 12 1 1 99.94 23.05 0.54 -0.00918 -0.00794 14 9 1 5 0 1276.550 26.41 20.00 23.05 14.67 21.9 946.16 -10277 -6049 -7167 -8140 -17013 -19313 -4288 -9688 -6259 -11678 -18332 -8093 -5263 -5737 -976 -1989 -3759 2427 2781 -4080 6812 -703 419 3434 393 -1559 -6281 -2671 -4815 -4893 3387 3657 1993 -2187 -6887 -4853 -1289 -2821 956 -2140 1282 77 -303 -146 604 29 54 -1499 -413 -113 1666 1643 1858 2038 1793 772 510 -353 -927 -437 1727 2887 4082 2352 565 -1117 -1862 -605 2531 1131 1088 1886 1498 1625 -284 -2151 -2258 -2719 -1090 -1283 -2486 -2637 -2950 -2243 -210 524 1166 939 1377 1721 639 149 -1412 -567 -892 -707 784 694 24 -446 -1128 -2087 -470 -668 -1497 -1830 -1164 -1017 345 1409 1305 512 354 -625 -241 -405 172 616 1156 616 555 805 1177 596 633 -519 -573 462 21 -338 -757 -841 -355 -204 188 23 467 1026 458 149 -678 -1222 -425 -263 -319 -345 -727 -825 -170 -458 -313 -641 -1102 -475 -349 -454 -85 -195 -401 257 308 -503 767 -86 52 439 55 -229 -949 -374 -669 -695 485 583 349 -403 -1287 -895 -255 -675 263 -693 438 28 -114 -56 230 11 21 -576 -158 -45 689 735 886 1018 929 415 278 -193 -502 -237 959 1724 2388 1477 359 -680 -1190 -388 1569 795 824 1459 1147 1182 -194 -1490 -1451 -1745 -747 -910 -2012 -2346 -2814 -2251 -220 582 1353 1113 1603 1911 666 143 -1297 -523 -896 -792 965 859 31 -569 -1466 -2526 -545 -811 -1960 -2332 -1545 -1419 509 2204 2143 853 568 -946 -338 -549 235 881 1750 979 891 1260 1774 870 883 -762 -818 675 31 -534 -1259 -1443 -628 -379 368 44 899 1992 890 282 -1344 -2348 SS 20231017T131419.4Z 8690.551613 108 1 4.39 2 68.86 124.55 99.95 111.54 0.00 1 0.00 1 0 25 3.575e-02 1.335e-02 1.913e-02 3.668e-03 3.388601e-01 1.906149e-03 4.166506e-03 -6.000000e+00 2.119597e-02 225.75 -2.00 3.51 -2.00 318.17 0.00e+00 2.165090e-03 3.550803e-04 1.111935e-03 -6.000000e+00 9.424558e-04 283.92 -2.00 20.00 -2.00 317.45 0.00e+00 2.746 0.000 302.00 328.00 3 2.8994e+00 5.0884e-03 3.2451e-02 -6.0000e+00 5.2378e-02 2.7271e-02 5.7676e-03 1.7547e-02 -6.0000e+00 5.6664e-02 -1.6905e-02 3.7490e-03 8.8513e-03 -6.0000e+00 3.3831e-02 -7.6405e-04 1.9468e-03 2.7124e-03 -6.0000e+00 1.4579e-02 1.2436e-03 -1.9466e-04 1.1230e-04 3.0123e-05 -6.0000e+00 1.0509e-03 -8.8345e-03 0.0000e+00 12 9 9 12 1 1 98.87 23.06 0.21 -0.00883 -0.01030 6 18 1 5 0 625.720 26.41 19.99 23.06 14.78 21.9 947.19 -1758 -6114 -13095 -5867 -7764 -3648 -11189 3434 -14817 -8432 -13464 -15205 -5457 -3340 3528 -352 6249 1632 1761 -749 1159 -4165 -2193 794 -1054 2562 -3195 -2050 -6140 -4071 -1341 1141 667 -4456 -3242 -8860 -998 -2328 1381 -1260 -673 259 1539 3055 367 1719 -223 1187 -1918 -655 1244 2900 2615 1298 2176 1025 1435 -1351 -478 870 1716 2504 3467 2998 333 -323 -2578 -628 1463 1619 1437 1633 1629 405 586 -2393 -2894 -4458 -2471 -2400 -2435 -2190 -3169 -1996 -317 1321 1715 1849 1853 1090 -29 -1855 -2567 -1936 -1208 -1034 712 658 443 -303 -1775 -1689 -762 -319 -1624 -1883 -901 -232 670 1890 1543 1114 659 331 -696 -602 225 218 1534 914 1177 1110 1022 752 815 -653 -1672 475 -76 -349 -721 -1579 -752 -521 361 94 597 790 908 35 -764 -1342 -99 -394 -915 -359 -446 -196 -694 207 -1173 -649 -1114 -1381 -522 -371 424 -49 864 249 282 -128 197 -748 -396 147 -211 508 -659 -401 -1215 -805 -282 261 165 -1102 -815 -2220 -256 -720 490 -493 -286 115 692 1371 171 789 -104 539 -902 -314 625 1547 1410 744 1277 625 881 -846 -292 528 1081 1701 2408 2209 250 -230 -1777 -453 1076 1328 1209 1412 1390 333 467 -1775 -2107 -3272 -1825 -2011 -2186 -2153 -3202 -2111 -351 1469 1996 2191 2167 1229 -32 -1921 -2645 -2004 -1280 -1167 881 854 602 -406 -2235 -2049 -891 -387 -2044 -2515 -1249 -322 986 2831 2432 1776 1015 497 -985 -855 321 314 2316 1393 1805 1667 1547 1098 1137 -919 -2312 663 -111 -528 -1149 -2614 -1229 -894 625 171 1102 1474 1687 64 -1344 -2375 SS 20231017T131835.5Z 8690.554578 111 1 48.65 2 68.20 125.43 99.24 112.18 0.00 1 0.00 1 0 17 2.735e-02 1.045e-02 2.612e-03 4.023e-04 3.249590e-01 2.099313e-04 3.977306e-03 -6.000000e+00 1.621295e-02 225.75 -2.00 3.51 -2.00 318.66 0.00e+00 2.044574e-03 4.467741e-05 1.003558e-03 -6.000000e+00 7.209720e-04 283.92 -2.00 20.00 -2.00 317.92 0.00e+00 2.668 0.000 302.00 328.00 3 6.4579e-01 5.7070e-04 3.1501e-02 -6.0000e+00 4.0064e-02 9.3111e-03 6.5149e-04 1.7028e-02 -6.0000e+00 4.3344e-02 -1.0098e-03 4.4181e-04 8.7069e-03 -6.0000e+00 2.5878e-02 -8.4457e-03 2.3170e-04 2.7381e-03 -6.0000e+00 1.1151e-02 1.3100e-02 -1.6400e-04 1.2631e-05 3.2609e-05 -6.0000e+00 8.0391e-04 -8.1243e-03 0.0000e+00 12 8 8 10 0 0 94.23 23.06 0.33 -0.00812 -0.00936 1028 236 1 5 0 47.320 26.41 19.99 23.06 15.08 22.1 949.77 -3142 -4050 -2879 -8491 -7840 -9471 -6140 -5930 -6844 -9131 -11906 -8810 -6745 -2103 -1511 -369 -697 1733 1110 1953 424 92 1109 385 595 -1152 -2269 -2941 -2351 -1833 125 1233 338 -3320 -6384 -4852 -4112 -946 -476 -807 -884 -373 398 290 1314 787 412 -24 -566 269 1071 1411 1319 1302 455 1456 293 -382 -507 113 1578 2584 3204 2511 493 -1041 -992 -575 1996 1644 964 1531 986 1115 -242 -1385 -2493 -3083 -1773 -2120 -2181 -2420 -2775 -1712 -323 316 1284 1244 1569 1289 507 -561 -1592 -534 -548 -210 531 1211 437 -598 -1555 -2118 -777 -339 -1570 -1911 -1089 -868 717 1300 1150 751 327 -223 -523 -243 128 280 991 350 673 742 1279 717 766 -730 -749 490 -53 -379 -1032 -1199 -459 10 285 106 693 827 579 -67 -341 -1340 -144 -205 -146 -428 -362 -432 -291 -316 -403 -570 -779 -602 -522 -184 -152 -40 -82 209 141 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