File name: Pandora64s1_NewHavenCT_20230706_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230709T033757.7Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230706_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: 20230706 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 20230706T101926.2Z 8587.430165 176 1 48.88 2 81.76 66.95 68.73 218.09 0.00 1 0.00 1 0 25 4.108e-01 3.669e-02 2.135e-01 1.226e-02 7.767475e-01 7.144631e-03 1.005419e-02 -6.000000e+00 2.530445e-01 232.95 -2.00 3.52 -2.00 321.45 0.00e+00 7.969319e-03 3.155809e-03 8.289013e-03 -6.000000e+00 1.121699e-02 288.44 -2.00 20.00 -2.00 320.83 0.00e+00 6.540 0.005 302.00 328.00 3 2.6724e+00 2.4234e-02 8.7258e-02 -6.0000e+00 6.3523e-01 1.0182e+00 2.9659e-02 6.5015e-02 -6.0000e+00 6.8356e-01 -1.2414e+00 2.0234e-02 2.6898e-02 -6.0000e+00 4.0683e-01 4.9546e-01 9.9514e-03 5.7702e-03 -6.0000e+00 1.7202e-01 2.0539e-05 -3.3828e-03 3.5159e-04 1.7710e-04 -6.0000e+00 1.2235e-02 -3.7930e-03 -1.2152e-04 12 8 8 10 0 0 11.88 21.40 0.23 -0.00379 -0.02921 15 4 1 5 0 3258.520 25.90 20.01 21.40 30.76 38.7 1061.85 -55573 -6809 -56823 -24347 -45013 167 -73669 -99976 -28359 6610 -105173 161989 -88930 -33740 35922 40325 -35982 195609 -11938 45266 25780 175926 28432 135641 4498 44072 -39618 14492 -41842 -6576 -15006 28968 49887 31928 38307 62871 -22821 7086 41166 11223 71153 47437 45483 38415 28569 29283 53311 12940 41612 -38590 66219 58679 49595 5823 50997 -218 45052 -4386 18298 2483 23409 12019 24364 24176 53124 -1798 15099 14425 25314 7278 20782 8990 12805 -1167 1152 -11563 33074 -7215 -8007 1996 -6111 -10338 -1249 -4814 269 -1866 2811 -4594 2014 3069 -9498 2354 -6920 -6559 -3865 2842 -5106 384 -1564 -1617 -4106 -2992 -9666 -1536 -5321 -2301 -4738 7115 -4249 1553 1967 1684 -422 4229 -2252 -1818 -308 711 -1250 3517 1293 4149 575 5178 2574 1045 -1993 2685 -271 1619 -321 -1497 -491 436 943 655 -239 41 900 -1249 -1433 -1745 -3174 -263 -3359 -959 -1868 4 -3730 -6309 -937 163 -7056 1937 -7206 -2041 1288 1560 -2988 2339 -873 1846 1215 2103 1220 2128 244 1680 -3149 671 -3208 -393 -1161 1630 2684 1931 2118 2725 -2375 623 2982 1231 4554 3970 3966 3566 2913 2986 4312 1620 4068 -8484 5961 6190 6104 1114 6707 -46 6337 -921 3101 460 3885 2331 4677 5139 9154 -494 3580 3593 6305 2437 6419 3159 4134 -400 347 -3579 6769 -2204 -2861 765 -2927 -5549 -660 -2784 158 -1174 1751 -3113 1260 1806 -5929 1323 -4023 -4111 -2717 2178 -4887 396 -1655 -1763 -4284 -2785 -9002 -1362 -5243 -2299 -5221 7566 -5380 2094 2917 2623 -673 6268 -3426 -2705 -464 1112 -2099 5715 2089 6241 870 7203 3565 1436 -2797 3934 -469 3074 -652 -3278 -1132 1063 2331 1681 -627 108 2306 -3086 -3495 -4025 SS 20230706T103548.6Z 8587.441535 181 1 48.00 2 78.91 69.46 70.58 221.61 0.00 1 0.00 1 0 25 3.642e-01 1.812e-02 7.604e-02 3.078e-03 6.405857e-01 1.742592e-03 8.039309e-03 -6.000000e+00 2.244753e-01 232.95 -2.00 3.52 -2.00 320.86 0.00e+00 9.340745e-03 7.618509e-04 4.282010e-03 -6.000000e+00 9.948888e-03 288.44 -2.00 20.00 -2.00 320.20 0.00e+00 5.010 0.002 302.00 328.00 3 2.3241e+00 5.7007e-03 6.2875e-02 -6.0000e+00 5.6352e-01 1.9952e-01 7.2760e-03 3.9105e-02 -6.0000e+00 6.0629e-01 -2.9921e-01 6.3013e-03 2.2346e-02 -6.0000e+00 3.6084e-01 1.2498e-01 3.0783e-03 8.5290e-03 -6.0000e+00 1.5265e-01 1.6979e-04 -1.3642e-03 9.1044e-05 1.5649e-04 -6.0000e+00 1.0849e-02 -5.1753e-03 -5.7645e-05 12 8 8 10 0 0 28.40 21.39 0.12 -0.00518 -0.01543 63 15 1 5 0 761.670 25.90 20.02 21.39 31.62 38.6 1066.09 -114022 -72418 -78586 -103067 -253724 -77004 -126529 -144001 -40389 -88849 -60202 -71188 -68174 -73276 -13748 -14307 4671 -19557 8487 -5615 15536 -5332 49832 -7777 7053 -15279 -6426 -25531 9424 -15914 2505 8373 19844 11306 18999 -204 12026 3839 15199 4875 13632 11192 13227 9077 10900 11583 19639 12747 8789 -336 15125 8871 10330 8130 7576 5097 2350 2193 3126 2360 3889 4579 6512 7204 7716 3331 1884 3352 2289 3234 2015 1915 -915 78 -1997 -1377 -738 -2246 -2284 -499 -2151 -1177 -2373 -2445 -1473 -1207 -222 -820 130 894 -853 -374 -2358 -1977 -994 -424 -1671 679 660 -684 -554 -1691 -3480 -270 -439 -2549 -709 -238 -183 59 981 149 19 194 -167 -247 907 -221 1349 938 336 174 1713 858 1936 983 -1174 570 1237 480 800 -551 -477 -804 550 -236 -498 148 615 -446 -285 -1156 -1773 -830 -1008 -1575 -14850 -924 -2382 -3497 -412 -1406 -831 -1204 -1451 -2099 -270 -332 99 -587 204 -162 365 -153 942 -248 200 -559 -216 -1024 278 -690 109 398 958 608 902 -12 722 294 1240 465 1296 1159 1416 1038 1260 1373 2210 1610 1213 -55 2368 1624 2015 1743 1686 1197 574 529 735 569 986 1191 1869 2264 2451 1078 631 1154 897 1416 951 923 -439 35 -828 -519 -270 -878 -1032 -260 -1310 -744 -1629 -1782 -1143 -987 -187 -706 110 713 -648 -269 -1708 -1527 -866 -395 -1801 804 820 -837 -632 -1774 -3540 -279 -486 -3007 -881 -297 -253 90 1514 239 30 313 -257 -374 1399 -361 2158 1536 542 288 2718 1315 2845 1415 -1707 884 2018 871 1568 -1091 -995 -1790 1222 -547 -1173 350 1430 -996 -639 -2489 SS 20230706T104247.4Z 8587.446382 184 1 48.35 2 77.68 70.52 71.42 223.07 0.00 1 0.00 1 0 25 3.022e-01 1.066e-02 5.265e-02 2.021e-03 5.914818e-01 1.134067e-03 6.944047e-03 -6.000000e+00 1.862807e-01 232.95 -2.00 3.52 -2.00 320.51 0.00e+00 3.933753e-03 4.497245e-04 1.969365e-03 -6.000000e+00 8.255532e-03 288.44 -2.00 20.00 -2.00 319.83 0.00e+00 4.548 0.002 302.00 328.00 3 2.1585e+00 3.5381e-03 5.6013e-02 -6.0000e+00 4.6763e-01 4.9051e-02 4.4490e-03 3.2941e-02 -6.0000e+00 5.0311e-01 -8.9056e-02 3.9060e-03 1.7213e-02 -6.0000e+00 2.9943e-01 3.1979e-02 1.9465e-03 5.6431e-03 -6.0000e+00 1.2669e-01 3.3970e-04 -7.8934e-04 6.0687e-05 8.3059e-05 -6.0000e+00 9.0020e-03 -5.5388e-03 -3.3179e-05 12 8 8 10 0 0 -2.59 21.37 0.21 -0.00554 -0.01147 98 24 1 5 0 493.090 25.90 20.01 21.37 31.77 38.8 1067.48 -85114 -116838 -43072 -93142 -205080 -103429 -50368 -112688 -49684 -61840 -75136 -70847 -42196 -52358 -11490 -18053 -16989 -5386 -8568 -6454 -4083 15271 -6660 10253 -9797 -651 -11344 -12269 -11813 -7683 -9866 4840 -1287 -249 -8153 -1063 -5293 2702 -1404 5734 888 4076 4461 3632 2213 6484 2294 4316 941 112 3371 2730 1997 3844 2270 2750 550 995 600 1153 1137 1672 4002 4409 3383 348 1332 251 940 2157 766 1062 182 -47 -404 -1595 71 -3345 -1447 -691 -1450 -925 -1443 -2564 -521 -716 234 238 1322 516 242 -18 -905 -1097 373 67 -140 437 605 -649 -703 -1669 -2127 -208 60 -1804 -493 -451 -242 246 950 330 424 122 -56 -265 576 -196 621 514 -21 -216 935 458 1032 654 -1365 547 1020 408 369 -539 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