File name: Pandora177s1_WestportCT_20240419_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240810T163958.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240419_L1_smca1c3d20221101p1-8.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: 20240419 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240419T123823.7Z 8875.526664 239 1 19.86 2 62.61 98.94 126.42 336.33 0.00 1 0.00 1 0 17 2.588e-02 1.037e-02 1.157e-02 2.239e-03 3.159776e-01 1.192069e-03 3.807298e-03 -6.000000e+00 1.573075e-02 228.99 -2.00 3.51 -2.00 318.19 0.00e+00 1.953249e-03 2.178717e-04 7.827549e-04 -6.000000e+00 6.826517e-04 280.77 -2.00 20.00 -2.00 317.52 0.00e+00 2.162 0.000 302.00 328.00 3 3.7146e+00 3.1905e-03 2.7250e-02 -6.0000e+00 3.9196e-02 2.6804e-02 3.6005e-03 1.6365e-02 -6.0000e+00 4.2333e-02 -4.3068e-03 2.3444e-03 8.2827e-03 -6.0000e+00 2.5164e-02 -6.5337e-03 1.2055e-03 2.6443e-03 -6.0000e+00 1.0679e-02 9.7708e-04 -1.5792e-04 7.1505e-05 2.9562e-05 -6.0000e+00 7.8841e-04 6.6800e-02 -2.0017e-04 12 9 9 12 1 1 45.55 23.03 0.35 0.06680 0.06561 17 10 1 5 0 1103.020 26.41 20.02 23.03 14.76 23.8 965.98 7198 -6198 914 -6761 -6339 -5892 -8063 -5087 -9921 -8164 -10373 -5249 -4918 -2689 -1321 110 1122 314 1968 2309 201 86 1459 1801 1203 -1785 -2482 -3809 -2138 741 330 2103 739 -4442 -4914 -4184 -1883 -2937 788 -1651 -511 -612 -1 366 872 1069 -503 110 576 1105 948 1324 1124 1265 754 1069 820 -572 100 23 2478 2479 3084 1699 -791 -1403 -1110 911 2542 1624 709 993 485 349 -689 -2033 -2157 -2821 -1717 -2429 -1874 -2669 -2729 -1171 13 677 1339 1357 1568 930 128 -538 -1560 -242 -331 -29 460 730 -240 -815 -1434 -1475 -203 -15 -2052 -1755 -1493 -669 1304 1043 1016 544 521 -171 38 190 338 490 941 97 674 912 1382 477 436 -225 -522 690 -229 -575 -1247 -1026 -369 141 150 -106 680 488 378 -104 -358 -1080 900000 394 -418 57 -429 -371 -338 -511 -350 -776 -647 -861 -448 -483 -303 -168 15 162 48 308 373 34 14 248 323 229 -356 -487 -727 -390 134 65 450 171 -1082 -1167 -1002 -492 -921 281 -682 -226 -284 0 175 416 508 -240 51 269 530 485 726 655 704 435 629 488 -342 59 13 1505 1631 2179 1270 -597 -1000 -749 613 1844 1319 622 891 431 295 -541 -1466 -1447 -1898 -1237 -1988 -1707 -2675 -2693 -1205 14 777 1597 1644 1866 1063 137 -574 -1589 -247 -336 -32 571 981 -313 -1124 -1846 -1766 -235 -18 -2696 -2431 -2006 -938 1907 1630 1652 887 816 -251 52 270 485 686 1392 152 1051 1390 2025 678 637 -315 -717 965 -322 -871 -1988 -1677 -621 247 260 -191 1247 906 699 -188 -623 -1831 900000 SS 20240419T124323.2Z 8875.530129 242 1 26.57 2 61.68 99.84 126.80 337.73 0.00 1 0.00 1 0 25 2.271e-02 9.760e-03 4.960e-03 1.089e-03 3.065758e-01 5.648711e-04 3.568640e-03 -6.000000e+00 1.355849e-02 228.99 -2.00 3.51 -2.00 318.09 0.00e+00 1.903804e-03 1.012313e-04 6.226861e-04 -6.000000e+00 5.950968e-04 280.77 -2.00 20.00 -2.00 317.37 0.00e+00 2.098 0.000 302.00 328.00 3 2.7644e+00 1.5147e-03 2.6239e-02 -6.0000e+00 3.3764e-02 1.7236e-02 1.7166e-03 1.5521e-02 -6.0000e+00 3.6684e-02 -3.0631e-03 1.0757e-03 7.7724e-03 -6.0000e+00 2.1817e-02 -7.3985e-03 5.3664e-04 2.5381e-03 -6.0000e+00 9.0053e-03 2.7688e-03 8.5820e-04 3.4657e-05 2.6961e-05 -6.0000e+00 6.8978e-04 6.4539e-02 -4.0520e-05 12 9 9 12 1 1 98.94 23.04 0.33 0.06454 0.07099 68 29 1 5 0 384.980 26.41 19.99 23.04 14.89 23.9 967.52 -1463 -973 -4925 -8440 -6167 -6481 -1859 -4726 -3412 -9251 -7469 -9049 -2255 -1182 -904 -212 -368 2480 1465 2896 234 1282 943 2399 1132 -1830 -1973 -3310 -1211 -1557 1750 1814 532 -3937 -6074 -3269 -3354 -137 -320 -501 -948 -513 355 114 899 380 390 -252 -6 401 1830 1292 1301 1111 587 1570 45 -5 -745 579 1810 2496 2727 1728 -206 -1025 -641 -40 2263 1060 912 1309 500 916 -770 -1511 -2757 -2668 -1678 -2139 -2193 -2437 -2467 -1371 -14 260 1294 940 1298 949 319 -739 -1306 69 -258 -15 482 968 -82 -750 -1501 -1621 -25 -174 -1707 -1791 -888 -719 980 1130 892 414 178 3 -43 257 355 513 786 231 591 663 1138 566 934 -510 -126 816 -150 -621 -1130 -1133 -448 127 231 32 620 635 354 -190 -314 -1032 -248 -100 -71 -375 -624 -412 -427 -126 -370 -285 -844 -684 -909 -244 -148 -129 -33 -60 414 258 520 44 238 180 478 240 -407 -429 -700 -243 -319 376 429 136 -1051 -1606 -853 -977 -43 -118 -209 -429 -243 170 56 436 185 187 -120 -3 196 938 715 763 681 348 943 28 -3 -452 376 1136 1683 1980 1321 -158 -743 -439 -28 1674 880 812 1190 451 784 -617 -1105 -1894 -1952 -1226 -1770 -2030 -2313 -2496 -1454 -16 290 1495 1107 1500 1117 350 -751 -1258 66 -268 -18 576 1250 -111 -994 -1860 -1989 -30 -216 -2158 -2395 -1233 -1047 1409 1726 1420 662 272 5 -61 350 490 742 1138 352 903 992 1636 832 1306 -690 -165 1097 -219 -919 -1754 -1806 -734 217 395 58 1126 1166 648 -341 -542 -1734 -437 SS 20240419T124830.1Z 8875.533682 245 1 49.06 2 60.73 100.78 127.15 339.18 0.00 1 0.00 1 0 17 2.285e-02 9.764e-03 7.093e-03 1.418e-03 2.983583e-01 7.336855e-04 3.513887e-03 -6.000000e+00 1.364164e-02 228.99 -2.00 3.51 -2.00 318.35 0.00e+00 1.913851e-03 1.399759e-04 7.153858e-04 -6.000000e+00 5.986546e-04 280.77 -2.00 20.00 -2.00 317.62 0.00e+00 2.036 0.000 302.00 328.00 3 3.5479e+00 1.9841e-03 2.5572e-02 -6.0000e+00 3.3971e-02 2.5165e-02 2.2577e-03 1.5244e-02 -6.0000e+00 3.6907e-02 -7.5299e-04 1.4396e-03 7.6875e-03 -6.0000e+00 2.1951e-02 -9.0244e-03 7.2056e-04 2.5354e-03 -6.0000e+00 9.0611e-03 1.3533e-03 8.6368e-04 4.5749e-05 2.9427e-05 -6.0000e+00 6.9393e-04 6.4275e-02 -2.2671e-05 12 8 8 10 0 0 99.69 23.05 0.40 0.06428 0.07077 76 17 1 5 0 645.370 26.41 19.99 23.05 15.13 23.9 969.13 -1965 -1849 -2357 -8257 -6967 -8698 -3087 -2898 -6294 -8950 -6081 -7791 -5348 -275 102 -653 -150 828 2132 1236 417 948 1574 1050 812 -1822 -3921 -2050 -1498 -158 1648 1423 -15 -3626 -5123 -4252 -2550 -907 -456 -1272 -577 -228 222 604 1061 604 107 -221 -632 597 1635 1727 1414 1141 516 1473 25 -775 -14 360 1426 2694 3080 1865 -433 -987 -957 -126 2350 1446 875 1002 460 759 -773 -1987 -1925 -2684 -1524 -2461 -2324 -2785 -2552 -1457 -43 407 1109 1163 1303 1255 208 -525 -1003 -50 23 -292 534 991 5 -967 -1315 -1713 -197 -310 -1931 -1871 -1106 -535 970 1186 900 419 378 -232 -16 130 451 134 887 252 493 645 1029 474 539 -471 -189 865 -159 -473 -1110 -1174 -367 70 136 34 719 695 450 -43 -284 -957 -260 -124 -125 -160 -557 -429 -534 -193 -202 -492 -739 -498 -698 -537 -31 13 -91 -22 126 333 201 69 157 266 188 154 -360 -772 -379 -267 -28 312 297 -3 -847 -1177 -981 -644 -267 -158 -501 -245 -101 100 274 482 275 48 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