File name: Pandora64s1_NewHavenCT_20240528_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240529T045813.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240528_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240528 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240528T114140.6Z 8914.487275 248 1 8.92 2 66.30 81.43 73.31 215.36 0.00 1 0.00 1 0 17 5.638e-02 9.973e-03 2.132e-02 3.635e-03 3.779646e-01 1.966879e-03 4.480064e-03 -6.000000e+00 3.462161e-02 231.93 -2.00 3.52 -2.00 318.23 0.00e+00 7.751632e-04 3.731709e-04 3.183435e-04 -6.000000e+00 1.516563e-03 284.79 -2.00 20.00 -2.00 317.49 0.00e+00 2.470 0.000 302.00 328.00 3 3.9829e+00 5.3266e-03 3.1977e-02 -6.0000e+00 8.6803e-02 2.3152e-02 6.0197e-03 1.9951e-02 -6.0000e+00 9.3515e-02 -3.9917e-03 3.9152e-03 9.7279e-03 -6.0000e+00 5.5580e-02 -3.3429e-03 2.0037e-03 2.7355e-03 -6.0000e+00 2.3483e-02 5.0633e-04 -1.1862e-04 1.1230e-04 3.1897e-05 -6.0000e+00 1.6783e-03 -4.6719e-03 4.8033e-05 12 9 9 12 1 1 99.94 21.51 0.12 -0.00467 -0.00556 7 10 1 5 0 1113.230 26.00 20.01 21.51 26.24 39.3 1042.21 5644 -7174 -2784 671 -56993 -15158 3026 -5508 5538 -8682 -9147 -5866 5794 -6443 6012 -5188 647 760 3300 1671 6054 56 5219 -2580 1836 -1370 3334 -5217 -1707 -3789 3972 89 951 -2620 -3785 -3152 -1788 -2550 865 994 343 -1550 288 -860 -879 460 893 180 -764 -1260 1726 1603 923 1418 -229 772 2136 307 -602 583 493 1372 1971 4218 1158 -704 -129 -1934 591 1987 811 741 -208 1438 -431 -674 -1744 -2106 -1611 -735 -1705 -1311 -2130 -2115 -576 -199 212 329 844 706 -35 324 -1352 -449 418 588 -419 1429 613 -300 -662 -1511 -2271 161 412 -1168 -242 -142 -277 633 987 649 27 259 -214 -279 377 -613 502 182 61 -437 907 -18 1087 767 -1042 277 1388 47 887 -751 -756 -500 882 -175 -81 387 478 -681 4 -1069 259 -401 -153 33 -4285 -826 150 -335 332 -585 -630 -437 452 -665 636 -679 85 106 469 253 887 9 820 -468 334 -249 609 -984 -304 -724 780 18 216 -615 -855 -746 -472 -802 295 386 145 -696 131 -399 -411 213 408 83 -359 -585 845 843 520 844 -134 462 1279 185 -361 350 311 934 1446 3037 840 -516 -92 -1431 448 1663 693 649 -180 1220 -341 -512 -1265 -1540 -1228 -631 -1568 -1264 -2191 -2302 -635 -231 244 384 1012 801 -39 333 -1345 -456 460 687 -525 1851 822 -392 -847 -1803 -2776 195 532 -1527 -332 -196 -411 960 1564 1029 42 387 -301 -396 544 -895 774 279 93 -656 1360 -26 1548 1052 -1414 391 2014 71 1404 -1244 -1250 -868 1547 -320 -145 705 860 -1234 8 -1879 SS 20240528T115240.4Z 8914.494913 256 1 50.10 2 64.25 83.11 74.47 217.62 0.00 1 0.00 1 0 25 1.178e-01 2.167e-02 2.331e-02 3.974e-03 3.505702e-01 2.139543e-03 4.072316e-03 -6.000000e+00 7.271412e-02 231.93 -2.00 3.52 -2.00 318.29 0.00e+00 5.677257e-03 4.117187e-04 7.490047e-04 -6.000000e+00 3.171651e-03 284.79 -2.00 20.00 -2.00 317.56 0.00e+00 2.288 0.000 302.00 328.00 3 5.8218e+00 5.8081e-03 2.9476e-02 -6.0000e+00 1.8234e-01 1.0948e-01 6.5700e-03 1.8513e-02 -6.0000e+00 1.9607e-01 -5.0788e-02 4.2257e-03 1.0054e-02 -6.0000e+00 1.1657e-01 1.8609e-02 2.1479e-03 6.1175e-03 -6.0000e+00 4.9526e-02 9.4780e-05 5.6249e-03 1.2374e-04 5.9416e-05 -6.0000e+00 3.4858e-03 -1.1834e-02 1.2691e-03 12 8 8 10 0 0 99.98 21.52 -0.12 -0.01183 0.03043 14 3 1 5 0 3578.100 26.00 20.01 21.52 26.44 39.4 1043.22 4581 13069 23373 18114 -115292 26504 -4188 14047 14133 14348 -17319 12732 -6372 4981 4252 10993 -2037 20100 3341 21200 13120 20223 7684 13759 -706 2591 -1460 711 26 -11508 1015 4149 8384 5079 1760 7303 -1090 -2214 1949 -1492 384 -2505 -74 5271 -142 1302 3538 1083 1758 -4225 4949 5688 4352 1533 1596 -2301 1830 -2153 1845 -764 883 1425 3337 2093 4079 -1941 -180 -2284 913 1055 1066 -340 -362 -277 -442 -2183 1564 -4819 -2462 -1304 -1572 -4687 -1841 -2835 -564 -1230 1134 -32 1613 1320 -470 804 -3468 -1740 -201 964 -322 1192 1132 -472 -1013 -1584 -3107 -320 -355 -1975 -562 1374 106 1127 2302 1198 308 532 -1179 -759 14 -459 677 1467 -219 958 995 1015 1127 123 -1682 1301 438 345 254 -660 -517 -88 610 203 -310 387 24 -754 -511 -1290 257 728 1211 916 -18231 1108 -249 759 821 860 -1427 857 -586 484 487 1312 -293 2473 506 2793 1889 2672 1183 2066 -126 457 -266 121 4 -2279 197 850 1808 1139 383 1558 -281 -639 637 -573 155 -1090 -33 2230 -64 585 1541 484 780 -2059 2369 2757 2255 861 911 -1391 1072 -1296 1053 -454 545 951 2368 1523 2847 -1405 -124 -1623 661 851 912 -302 -314 -228 -334 -1588 1031 -3381 -1858 -1055 -1420 -4609 -1857 -3048 -612 -1418 1332 -39 1890 1467 -512 801 -3406 -1718 -214 1079 -406 1560 1523 -620 -1305 -1896 -3668 -389 -461 -2609 -775 1951 156 1760 3713 1941 482 776 -1699 -1054 19 -681 1018 2267 -343 1444 1514 1464 1560 171 -2314 1826 644 521 404 -1087 -879 -151 1100 367 -573 720 44 -1395 -912 -2236 SS 20240528T121414.5Z 8914.509890 274 1 5.59 2 60.22 86.48 76.92 221.90 0.00 1 0.00 1 0 17 1.317e-02 7.801e-03 2.490e-03 8.146e-04 3.101584e-01 4.420845e-04 3.714586e-03 -6.000000e+00 8.084873e-03 231.94 -2.00 3.52 -2.00 317.09 0.00e+00 3.681038e-04 6.047950e-05 1.363555e-04 -6.000000e+00 3.541908e-04 284.79 -2.00 20.00 -2.00 316.34 0.00e+00 2.005 0.000 302.00 328.00 3 1.3584e+00 1.1701e-03 2.6035e-02 -6.0000e+00 2.0270e-02 2.2057e-03 1.3044e-03 1.6274e-02 -6.0000e+00 2.1839e-02 -9.0334e-04 7.7599e-04 7.9040e-03 -6.0000e+00 1.2980e-02 -3.1874e-03 3.7504e-04 2.1748e-03 -6.0000e+00 5.4830e-03 1.2264e-02 -3.1643e-04 2.5189e-05 2.6719e-05 -6.0000e+00 3.9204e-04 -4.6860e-03 -1.5130e-05 12 9 1 12 1 1 99.03 21.51 0.19 -0.00469 -0.00706 82 172 1 5 0 67.310 26.00 20.00 21.51 26.91 39.5 1046.29 892 -1762 345 -5551 -6038 -3395 -1010 -558 -385 -1284 -4489 -2158 -385 207 514 693 -1117 830 188 1717 547 62 964 1066 209 1225 92 -1017 -1429 366 1634 320 2159 19 -4613 -2187 -2490 -1059 -85 414 -865 -972 -209 -627 -347 182 -824 -140 -1073 -232 1116 660 630 1531 387 880 1019 764 273 356 610 1549 1246 2554 729 -1374 -403 -1392 780 1710 367 416 -227 378 190 -775 -703 -2069 -447 -319 -1104 -710 -1835 -2238 -475 -496 210 160 967 430 434 242 -772 -89 844 307 -55 1133 646 -352 -511 -1582 -1725 88 529 -1359 -371 -801 -320 345 799 394 201 185 -183 -222 479 -131 535 437 -52 -327 627 192 975 908 -909 527 1029 351 552 -456 -690 -344 489 -111 -556 308 152 -391 -34 -716 93 -199 39 -603 -665 -370 -117 -66 -50 -174 -629 -323 -65 40 113 153 -262 202 48 448 145 17 269 315 65 388 29 -303 -413 107 514 109 732 7 -1572 -765 -984 -453 -43 221 -501 -586 -129 -389 -215 112 -503 -84 -649 -144 692 438 442 1062 277 645 755 562 199 262 470 1213 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