File name: Pandora177s1_WestportCT_20230829_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T135854.7Z 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_20230829_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: 20230829 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 20230829T144044.3Z 8641.611624 304 1 50.05 2 43.37 127.71 156.62 323.77 0.00 1 0.00 1 0 17 1.850e-02 1.356e-02 8.209e-03 3.724e-03 1.767496e-01 1.974929e-03 2.206620e-03 -6.000000e+00 1.117475e-02 230.68 -2.00 3.51 -2.00 316.62 0.00e+00 7.275728e-04 2.404394e-04 3.775544e-04 -6.000000e+00 4.986215e-04 289.11 -2.00 20.00 -2.00 315.82 0.00e+00 1.374 0.000 302.00 328.00 3 5.8650e+00 5.1686e-03 1.6557e-02 -6.0000e+00 2.7889e-02 6.3418e-02 5.7551e-03 9.1683e-03 -6.0000e+00 3.0036e-02 -3.7920e-03 3.3319e-03 4.4341e-03 -6.0000e+00 1.7919e-02 -8.2112e-03 1.5614e-03 1.2306e-03 -6.0000e+00 7.6818e-03 3.1402e-04 1.9679e-04 1.1540e-04 1.6364e-05 -6.0000e+00 5.4474e-04 -4.3480e-03 0.0000e+00 12 9 8 11 8 0 99.94 23.12 0.16 -0.00435 -0.00287 18 4 1 5 0 2780.500 26.41 20.01 23.12 29.26 22.2 1043.48 3041 -2595 3829 -913 -2639 -1543 2173 -1121 898 -4239 -6960 -2488 -1259 1667 -90 1923 -2102 1049 1414 1397 -1352 220 2276 1253 2454 -67 822 -428 -866 -1496 -56 2601 -213 -1081 -6904 -5683 -2574 -1380 -2144 -926 705 -988 1523 396 936 972 -596 -743 -1794 246 954 1889 -59 1794 43 1207 355 -547 113 -424 597 1205 3921 2253 1114 -1550 -1053 -902 1256 1314 1600 1040 1168 1910 -277 -2297 -4263 -3634 -2525 -2542 -2318 -2911 -2526 -1350 41 813 1193 2144 1853 1996 -280 -1276 -2269 -302 -987 -715 -150 1272 242 -623 -1586 -2477 -822 -1195 -1322 -1736 -1623 -523 988 1437 1540 1555 1297 -383 -481 -1485 -587 -482 1247 309 810 1087 1362 603 730 -394 -1357 116 -300 -85 -586 -895 -797 123 889 220 881 608 627 -441 -299 -2089 566 -539 733 -169 -449 -249 359 -214 181 -915 -1524 -535 -293 424 -26 571 -667 330 455 462 -463 74 757 439 889 -25 297 -147 -281 -476 -18 879 -77 -391 -2521 -2202 -988 -616 -1134 -544 437 -646 987 260 609 624 -376 -453 -1076 156 627 1303 -40 1243 31 872 260 -431 88 -332 481 1033 3487 1946 1013 -1327 -826 -699 1031 1195 1556 1047 1162 1809 -248 -1889 -3246 -2652 -1920 -2146 -2162 -2952 -2698 -1502 48 1010 1550 2811 2406 2473 -328 -1359 -2245 -289 -1005 -793 -182 1639 325 -823 -1964 -2885 -929 -1424 -1690 -2354 -2291 -758 1479 2249 2472 2465 1950 -538 -624 -1857 -733 -633 1727 456 1216 1604 1937 827 951 -491 -1643 141 -385 -115 -824 -1278 -1163 185 1403 365 1492 1046 1079 -751 -492 -3396 SS 20230829T144556.2Z 8641.615234 307 1 47.96 2 42.61 129.22 157.13 326.38 0.00 1 0.00 1 0 17 1.586e-02 1.187e-02 1.410e-03 7.413e-04 1.732547e-01 3.922244e-04 2.118887e-03 -6.000000e+00 9.580420e-03 230.68 -2.00 3.51 -2.00 316.12 0.00e+00 8.942287e-04 4.278696e-05 2.293661e-04 -6.000000e+00 4.274290e-04 289.11 -2.00 20.00 -2.00 315.34 0.00e+00 1.357 0.000 302.00 328.00 3 3.4281e+00 1.0204e-03 1.6289e-02 -6.0000e+00 2.3910e-02 4.5475e-02 1.1315e-03 8.9471e-03 -6.0000e+00 2.5750e-02 -4.8770e-03 6.5100e-04 4.3263e-03 -6.0000e+00 1.5362e-02 -6.7350e-03 3.0176e-04 1.2025e-03 -6.0000e+00 6.5865e-03 3.6986e-03 -5.8056e-05 2.2779e-05 1.5818e-05 -6.0000e+00 4.6696e-04 -5.1384e-03 0.0000e+00 12 8 8 10 0 0 99.97 23.13 0.41 -0.00514 -0.00557 156 36 1 5 0 307.420 26.51 19.98 23.13 29.75 22.2 1046.40 1239 1240 -15 -3257 -3669 -3155 -348 916 31 -3248 -4636 -3247 -1042 -129 846 268 17 1732 1364 2400 859 894 1238 1959 1485 789 -113 -1169 -259 -353 1672 1815 839 -3371 -5817 -4649 -3875 -951 -298 -690 -694 20 230 42 836 286 -215 -753 -838 -193 1048 842 1040 941 285 1301 595 25 -387 164 1158 2260 2796 2135 356 -1303 -1508 -1118 1862 1402 938 1496 1045 1342 -124 -1291 -2546 -3125 -2180 -2084 -2312 -2533 -2955 -1773 -369 169 1278 1238 1718 1355 506 -895 -1679 -566 -655 -145 516 1356 529 -401 -1543 -2101 -1142 -622 -1564 -1846 -974 -858 747 1463 1572 1147 693 100 -435 -359 -199 102 841 539 682 669 1044 631 904 -457 -666 380 54 -157 -783 -1146 -536 32 326 237 572 832 471 -93 -548 -1567 280 296 -4 -737 -753 -617 -70 203 8 -824 -1176 -833 -286 -40 284 96 6 641 521 930 341 353 492 805 641 347 -49 -478 -99 -131 631 729 356 -1474 -2483 -1952 -1773 -497 -182 -433 -468 14 162 30 585 198 -146 -494 -588 -135 754 584 754 705 219 1007 467 20 -300 127 926 1912 2508 1984 326 -1113 -1187 -866 1512 1268 915 1495 1040 1278 -111 -1158 -2098 -2494 -1814 -1922 -2150 -2555 -3165 -1978 -434 210 1660 1639 2238 1695 589 -954 -1657 -543 -665 -160 621 1748 712 -530 -1918 -2448 -1300 -739 -2011 -2517 -1372 -1254 1033 2108 2326 1684 968 141 -568 -447 -249 135 1176 799 1033 1000 1504 874 1187 -577 -810 463 69 -215 -1112 -1656 -787 48 521 363 899 1325 753 -146 -840 -2567 SS 20230829T145056.1Z 8641.618705 310 1 48.40 2 41.89 130.70 157.59 328.98 0.00 1 0.00 1 0 17 1.551e-02 1.182e-02 2.530e-03 1.302e-03 1.718019e-01 6.925121e-04 2.096899e-03 -6.000000e+00 9.367997e-03 230.68 -2.00 3.51 -2.00 316.14 0.00e+00 8.012144e-04 7.601418e-05 2.674246e-04 -6.000000e+00 4.179750e-04 289.11 -2.00 20.00 -2.00 315.37 0.00e+00 1.342 0.000 302.00 328.00 3 4.3530e+00 1.8042e-03 1.6104e-02 -6.0000e+00 2.3380e-02 4.8800e-02 2.0037e-03 8.8225e-03 -6.0000e+00 2.5179e-02 -3.1708e-03 1.1537e-03 4.2749e-03 -6.0000e+00 1.5022e-02 -7.6309e-03 5.3044e-04 1.1867e-03 -6.0000e+00 6.4402e-03 1.4914e-03 -6.5901e-05 3.9935e-05 1.5776e-05 -6.0000e+00 4.5663e-04 -4.7893e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.12 0.51 -0.00479 -0.00528 74 17 1 5 0 653.910 26.51 20.00 23.12 30.06 22.1 1047.85 1706 1485 -372 -2292 -3788 -3322 -1153 296 288 -2765 -4349 -3205 -612 -148 705 373 -430 1804 1178 2144 324 487 925 2060 1717 666 -314 -896 115 -581 1844 1347 1207 -2887 -5422 -4555 -3550 -1079 -708 -771 -900 -64 -8 250 409 184 -247 -480 -892 -419 1255 831 1127 941 480 1514 476 -193 -388 310 1130 2314 2894 2325 222 -1206 -1404 -949 1767 1124 1019 1621 1183 1405 -326 -1296 -2657 -3280 -2211 -2075 -2652 -2626 -2827 -1528 -408 297 1292 1081 1816 1209 516 -825 -1767 -430 -579 -252 548 1287 535 -324 -1503 -2181 -1235 -631 -1506 -1811 -1022 -959 852 1560 1647 1110 719 106 -383 -410 -291 67 912 578 694 729 953 622 1007 -285 -635 294 -84 -298 -788 -1329 -314 34 391 158 529 667 463 -81 -650 -1560 373 344 -86 -499 -757 -633 -228 64 68 -680 -1071 -800 -163 -44 230 129 -154 647 436 807 125 187 358 820 717 285 -131 -354 42 -209 672 526 493 -1215 -2227 -1847 -1565 -546 -420 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