File name: Pandora177s1_WestportCT_20240315_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T050547.5Z 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_20240315_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: 20240315 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 20240315T124642.4Z 8840.532435 83 1 49.43 2 71.88 109.26 100.48 44.04 0.00 1 0.00 1 0 25 1.305e-01 1.151e-02 9.272e-02 4.514e-03 4.563430e-01 2.402859e-03 5.833981e-03 -6.000000e+00 7.732398e-02 226.22 -2.00 3.51 -2.00 320.22 0.00e+00 5.529952e-03 8.132476e-04 3.084042e-03 -6.000000e+00 3.343575e-03 277.03 -2.00 20.00 -2.00 319.67 0.00e+00 3.174 0.001 302.00 328.00 3 4.0881e+00 7.0461e-03 4.0676e-02 -6.0000e+00 1.9173e-01 1.2777e-02 8.5722e-03 2.6300e-02 -6.0000e+00 2.0775e-01 -1.4456e-02 7.5906e-03 1.7466e-02 -6.0000e+00 1.2346e-01 -4.0533e-03 3.8928e-03 8.0645e-03 -6.0000e+00 5.2688e-02 2.1286e-04 7.1936e-04 1.4178e-04 1.1146e-04 -6.0000e+00 3.8369e-03 4.9535e-03 0.0000e+00 12 9 8 11 8 0 99.78 22.92 0.36 0.00495 0.01036 24 6 1 5 0 2059.080 26.32 20.03 22.92 15.33 23.4 967.65 -36829 -25889 -203 -55807 -73320 3795 -59303 -34897 -38474 -9720 -51444 -26144 -17106 -17558 -24062 -4584 -8543 9074 -485 5119 -4517 5899 2988 -20193 -2903 -12392 11338 -1011 -3952 -1300 -10213 4223 -3750 -3062 -8175 849 -6839 385 -7014 2827 -993 -2122 -768 -2655 2706 1207 247 2966 2767 6641 3372 2243 1005 707 -477 2640 -1830 1321 -2244 1661 2190 2718 5344 2252 1650 -2795 221 -1080 3790 1433 955 2156 -1170 1289 -1235 -747 -3993 -3061 -2265 -2038 -1546 -2400 -3290 -1092 1511 766 2599 1905 824 1552 -214 -772 -3125 -978 -1686 572 331 1524 812 -1064 -1428 -2425 -789 -998 -1984 -1832 -631 -697 634 1454 1119 554 121 -822 -773 123 -8 60 803 727 890 1135 1615 386 470 -1083 -394 214 -120 -967 -1278 -1095 -596 149 217 323 885 715 479 206 -193 -1363 -519 -365 -2 -1032 -1506 38 -1212 -625 -774 -153 -1294 -584 -430 -552 -968 -173 -368 354 -22 230 -227 269 145 -1308 -167 -803 574 -57 -231 -80 -787 324 -341 -280 -766 74 -727 46 -1065 443 -177 -406 -150 -543 534 246 51 610 586 1432 818 602 293 218 -154 851 -622 430 -748 539 752 1026 2174 1008 744 -1259 94 -483 1798 778 558 1271 -696 704 -633 -346 -1809 -1414 -1161 -1203 -1032 -1781 -2637 -908 1305 709 2472 1849 794 1415 -185 -620 -2477 -791 -1523 573 375 1876 1048 -1359 -1684 -2649 -826 -1092 -2342 -2281 -817 -961 937 2316 1891 952 201 -1302 -1151 176 -12 92 1305 1219 1481 1827 2496 582 679 -1519 -542 310 -192 -1701 -2384 -2116 -1198 293 452 697 1942 1584 1052 438 -419 -2877 SS 20240315T125143.8Z 8840.535923 86 1 48.50 2 70.99 110.19 99.84 44.94 0.00 1 0.00 1 0 25 1.341e-01 1.099e-02 1.070e-01 3.811e-03 4.417541e-01 2.039348e-03 5.511735e-03 -6.000000e+00 7.947451e-02 226.22 -2.00 3.51 -2.00 320.17 0.00e+00 2.983480e-03 6.711863e-04 2.699234e-03 -6.000000e+00 3.436332e-03 277.03 -2.00 20.00 -2.00 319.61 0.00e+00 3.034 0.000 302.00 328.00 3 3.8088e+00 5.9540e-03 3.9189e-02 -6.0000e+00 1.9706e-01 -2.0348e-02 7.2119e-03 2.6057e-02 -6.0000e+00 2.1352e-01 1.6976e-02 6.3277e-03 1.4953e-02 -6.0000e+00 1.2689e-01 -1.5853e-02 3.2533e-03 5.3837e-03 -6.0000e+00 5.4157e-02 3.3236e-04 5.0573e-04 1.2138e-04 8.0192e-05 -6.0000e+00 3.9433e-03 4.4189e-03 0.0000e+00 12 8 8 10 0 0 99.90 22.92 0.67 0.00442 0.00822 59 14 1 5 0 821.910 26.32 19.98 22.92 15.46 23.4 968.24 -50137 102540 -5156 -2717 -25829 -23921 25729 -38867 -31146 -55094 -27066 -28198 1731 2201 -13180 22148 -5722 927 -9385 -4401 -8866 6989 435 2341 -828 -13106 -12872 -18035 -5861 -9115 3302 -2550 -2493 -1013 -5606 -10665 -10627 -1085 -3452 -53 708 2826 4054 1958 1313 -1864 1905 -1702 2249 1385 3142 3197 520 1947 1222 882 -1182 85 -695 1187 1041 2939 3683 2205 280 -607 -751 -259 2806 1289 981 2367 1057 1533 -2390 -2433 -3751 -1540 -1744 -1988 -1609 -2270 -2285 -1672 556 -330 2249 1168 2083 1505 650 -396 -3076 -1237 -1382 -465 708 1619 483 -266 -1625 -2345 -811 -765 -1792 -1873 -811 -955 1526 1406 1295 546 172 -613 -890 -283 -67 704 443 563 685 940 1469 88 539 -1002 -842 396 -42 -272 -1397 -1302 -683 77 -41 195 613 952 632 109 -203 -1316 -901 445 -67 -33 -368 -333 239 -782 -637 -1501 -587 -699 39 60 -498 665 -248 40 -482 -225 -483 329 23 129 -50 -925 -897 -1290 -370 -632 230 -216 -230 -94 -528 -1080 -1214 -136 -529 -9 131 541 794 399 273 -405 402 -376 490 322 780 867 156 608 400 299 -413 29 -236 400 371 1133 1555 1006 130 -272 -326 -116 1359 709 581 1415 626 853 -1265 -1276 -1881 -772 -975 -1177 -1077 -1687 -1820 -1404 487 -310 2158 1149 1995 1382 559 -319 -2444 -1001 -1240 -467 792 1968 619 -334 -1903 -2541 -843 -830 -2099 -2320 -1045 -1309 2211 2212 2155 925 283 -954 -1305 -401 -97 1060 709 929 1123 1493 2240 131 765 -1380 -1143 559 -66 -463 -2537 -2449 -1333 158 -90 438 1406 2191 1445 241 -430 -2709 SS 20240315T125638.9Z 8840.539339 89 1 48.77 2 70.12 111.11 99.20 45.80 0.00 1 0.00 1 0 25 6.804e-02 1.088e-02 1.697e-02 1.179e-03 4.268126e-01 6.204338e-04 5.218332e-03 -6.000000e+00 4.032160e-02 226.22 -2.00 3.51 -2.00 319.69 0.00e+00 3.502217e-03 1.782769e-04 2.125117e-03 -6.000000e+00 1.743428e-03 277.03 -2.00 20.00 -2.00 319.13 0.00e+00 2.910 0.000 302.00 328.00 3 2.2630e+00 1.7550e-03 3.6999e-02 -6.0000e+00 9.9981e-02 2.2338e-04 2.0713e-03 2.3290e-02 -6.0000e+00 1.0833e-01 -8.3149e-03 1.7129e-03 1.3491e-02 -6.0000e+00 6.4378e-02 -4.4039e-03 8.9451e-04 5.3320e-03 -6.0000e+00 2.7477e-02 1.7790e-03 4.5229e-04 3.6696e-05 7.0086e-05 -6.0000e+00 2.0006e-03 4.3979e-03 0.0000e+00 12 8 8 10 0 0 99.29 22.92 0.30 0.00440 0.00780 172 40 1 5 0 283.530 26.32 20.05 22.92 15.45 23.4 967.79 -18362 -8830 -15061 -23149 -30258 -23425 -21217 -26570 -19287 -23702 -19165 -20629 -8996 -6121 -3470 -4167 -3664 555 -3752 2660 -1936 -648 -2147 -2250 -4718 -4288 -5872 -6657 -6044 -3096 -304 436 1229 -6030 -8344 -5277 -5783 -785 -972 -199 -1710 -272 -373 184 942 1029 708 -202 -473 855 2479 1850 2043 1564 833 1450 19 -1081 -727 262 1057 3109 3777 2702 373 -982 -643 -489 2392 1947 1610 1754 946 967 -807 -1873 -3156 -2820 -2345 -2030 -2104 -2386 -2871 -1425 -80 539 1613 1571 1947 1327 448 -1427 -2173 -1075 -976 -162 449 1534 509 -393 -1662 -2099 -641 -401 -1828 -1834 -1162 -520 1147 1386 1201 551 159 -614 -724 -331 146 504 915 459 748 1030 1377 643 473 -1107 -816 322 -229 -604 -1346 -1392 -575 -26 186 93 784 970 706 -28 -492 -1245 -353 -171 -315 -498 -651 -466 -449 -669 -492 -660 -533 -655 -307 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