File name: Pandora55s1_QueensNY_20230818_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120718.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230818_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230818 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20230818T115929.4Z 8630.499646 91 1 23.10 2 70.15 89.62 91.75 79.24 0.00 1 0.00 1 0 25 2.403e-02 5.955e-03 8.880e-03 1.372e-03 3.754751e-01 7.222582e-04 4.441518e-03 -6.000000e+00 1.446768e-02 231.58 -2.00 3.51 -2.00 318.38 0.00e+00 1.635518e-05 1.447169e-04 1.732178e-04 -6.000000e+00 6.507218e-04 290.11 -2.00 20.00 -2.00 317.51 0.00e+00 2.913 0.000 302.00 328.00 3 2.3279e+00 1.9711e-03 3.5243e-02 -6.0000e+00 3.6153e-02 9.5568e-03 2.2452e-03 1.9847e-02 -6.0000e+00 3.8998e-02 1.1850e-03 1.4644e-03 9.5825e-03 -6.0000e+00 2.3289e-02 -5.9949e-03 7.5214e-04 2.6109e-03 -6.0000e+00 9.7950e-03 1.7855e-03 -5.4496e-04 4.2300e-05 3.1524e-05 -6.0000e+00 7.1780e-04 -1.5540e-03 0.0000e+00 12 1 1 12 1 1 99.99 19.64 0.11 -0.00155 -0.00565 85 36 1 5 0 266.480 25.90 20.03 19.64 25.40 36.0 1054.77 -13406 -4953 9690 -11874 -3713 -1123 -4179 4072 -287 -2214 -2489 -4901 -2662 -10361 3610 -690 -3076 4969 3333 1715 1662 1395 1067 -702 114 -1023 1721 -492 -307 -516 1050 2151 652 -3688 -626 1525 -437 -244 914 98 -1807 -1082 -1935 -1550 -1157 -109 -1746 -68 -918 678 346 138 601 1122 739 632 871 357 667 661 1378 1538 1715 621 -255 -323 607 34 1357 1207 -143 -52 -262 -661 -403 -154 581 521 1098 -307 -75 -406 -1176 -963 -1117 -1100 -455 -559 -139 -501 36 372 641 979 1261 1321 796 872 -320 -417 -659 -681 -80 884 12 -985 -440 -889 -84 -72 -230 -311 -105 -120 -70 439 817 792 618 -54 -641 -552 -248 -88 -8 178 403 1287 688 229 513 -82 405 120 250 -221 -128 185 -333 -506 -209 -210 -127 166 -622 -242 439 -651 -178 -50 -197 196 -16 -137 -161 -336 -198 -953 340 -77 -380 607 435 238 238 204 159 -111 19 -183 308 -88 -53 -88 182 403 137 -850 -142 332 -99 -61 265 33 -692 -442 -831 -679 -509 -48 -775 -30 -403 298 158 67 308 603 417 368 519 216 401 393 819 945 1117 435 -187 -237 428 24 931 885 -115 -44 -228 -574 -338 -123 430 365 761 -226 -60 -356 -1110 -952 -1150 -1183 -508 -647 -163 -588 41 407 663 971 1246 1368 886 1045 -412 -556 -879 -877 -98 1041 15 -1236 -573 -1195 -117 -104 -346 -485 -167 -188 -106 638 1147 1109 888 -81 -992 -865 -385 -134 -11 259 570 1764 953 330 778 -130 655 198 424 -388 -231 341 -622 -949 -388 -381 -224 290 SS 20230818T120410.2Z 8630.502896 94 1 50.67 2 69.27 90.38 90.91 79.99 0.00 1 0.00 1 0 17 2.696e-01 2.704e-02 4.904e-02 5.704e-03 3.462436e-01 3.017583e-03 4.020129e-03 -6.000000e+00 1.633145e-01 231.58 -2.00 3.51 -2.00 318.87 0.00e+00 1.470611e-03 6.909064e-04 1.436404e-04 -6.000000e+00 7.387569e-03 290.11 -2.00 20.00 -2.00 318.01 0.00e+00 2.796 0.000 302.00 328.00 3 5.3834e+00 8.3667e-03 3.3317e-02 -6.0000e+00 4.0854e-01 6.5997e-02 9.6696e-03 1.8215e-02 -6.0000e+00 4.4106e-01 -2.5606e-02 6.4100e-03 8.8738e-03 -6.0000e+00 2.6246e-01 1.2386e-02 3.2542e-03 2.7783e-03 -6.0000e+00 1.1015e-01 9.4795e-05 -9.1834e-04 1.8091e-04 3.1649e-05 -6.0000e+00 8.1799e-03 4.4268e-03 0.0000e+00 12 8 8 10 0 0 99.96 19.62 0.53 0.00443 -0.00247 39 7 1 5 0 1298.930 25.90 20.01 19.62 25.58 36.0 1056.24 -36890 -52494 900000 -66967 86015 30217 4018 900000 24291 -6389 -45434 -14938 -26224 -52533 82904 16129 -29387 198876 66481 59127 42474 11039 18932 -20637 9920 -8223 110165 -4334 -1107 -19255 -3600 12518 9314 -16206 5252 37361 -10464 -2248 5001 16643 -8325 6229 -9005 2408 1145 12382 -5860 7751 8941 8106 1653 -2482 -3313 10025 12820 57 8644 2543 6815 570 2029 10227 130 -2144 4544 -7870 4502 -2314 -848 2673 -3799 765 3063 -3975 6499 -2261 2899 3166 -1939 -8760 -4155 2567 -1162 -121 -4626 768 -3668 -355 -3215 -406 -1941 -490 -549 2237 -693 977 -1680 -684 1225 -874 151 -1921 549 1838 1982 -679 -235 -1246 528 2301 947 -1719 511 8 -1704 -60 -1256 2671 -102 599 -2311 -17 2282 3847 837 -240 36 75 497 -1794 1125 1396 1819 1448 786 -502 162 805 235 -1249 -1423 -771 -721 -910 -2202 -4075 900000 -6174 1867 1022 175 900000 1067 -394 -4109 -1060 -2266 -6647 3549 1426 -4260 3855 4459 4420 3809 1337 2148 -3501 1342 -1376 6379 -697 -166 -3347 -560 1835 1545 -3600 963 4951 -2205 -489 1193 4166 -2944 2079 -3600 891 432 4259 -2365 2755 3116 2874 643 -1065 -1533 4353 5701 29 4234 1325 3398 297 1053 5135 77 -1388 2910 -5603 2732 -1429 -522 1723 -2854 591 2389 -3269 4690 -1652 1855 1886 -1196 -6093 -3096 2000 -1017 -111 -4645 780 -4079 -401 -3801 -468 -2193 -518 -538 2030 -643 946 -1817 -807 1540 -1170 200 -2455 644 2052 2263 -835 -302 -1681 732 3299 1452 -2816 835 13 -2660 -87 -1772 3636 -146 897 -3698 -27 3553 5797 1252 -350 50 102 675 -2606 1698 2204 2956 2415 1359 -915 305 1547 460 -2482 -2797 -1468 -1326 -1647 SS 20230818T122344.8Z 8630.516491 100 1 50.28 2 65.56 93.63 87.39 83.14 0.00 1 0.00 1 0 25 1.485e-02 6.216e-03 4.968e-03 1.022e-03 3.148443e-01 5.360268e-04 3.755808e-03 -6.000000e+00 8.942856e-03 231.58 -2.00 3.51 -2.00 318.12 0.00e+00 5.617685e-05 9.844318e-05 1.879039e-04 -6.000000e+00 4.022053e-04 290.11 -2.00 20.00 -2.00 317.24 0.00e+00 2.400 0.000 302.00 328.00 3 2.8831e+00 1.4516e-03 2.9228e-02 -6.0000e+00 2.2347e-02 -1.0852e-03 1.6453e-03 1.6659e-02 -6.0000e+00 2.4104e-02 1.0532e-02 1.0291e-03 8.0409e-03 -6.0000e+00 1.4395e-02 -9.6993e-03 5.1909e-04 2.2050e-03 -6.0000e+00 6.0554e-03 1.8327e-03 -2.6420e-04 3.1930e-05 2.7099e-05 -6.0000e+00 4.4364e-04 -2.4934e-03 0.0000e+00 10 0 0 10 0 0 100.00 19.62 0.14 -0.00249 -0.00448 428 81 1 5 0 117.450 25.90 20.01 19.62 27.23 35.9 1064.77 -4277 -3610 2225 -7906 -2436 -2804 1524 5613 1279 -2461 -1848 -595 -354 -5892 3101 210 -1247 -1577 1053 1869 -436 1703 1285 151 -481 -285 1091 -363 -76 677 1427 2106 1660 -2898 -120 1627 698 -499 651 -332 -1740 -1151 -1917 -1416 -1351 -161 -1642 -427 -604 573 577 572 209 1015 1019 463 1217 27 951 621 1614 1558 1388 401 -374 -470 168 678 1175 1308 -48 37 -613 -737 -549 -81 377 1144 1365 270 241 -492 -1169 -1240 -1134 -964 -741 -580 -427 -530 -86 286 569 1567 1548 1449 873 971 -450 -502 -376 -621 -73 769 100 -783 -299 -922 -61 -59 -52 -489 -130 -165 -180 562 733 835 548 -62 -814 -430 -219 -196 -9 12 336 1220 945 318 569 1 382 201 348 -325 -160 160 -421 -389 -199 -141 -158 110 -268 -252 155 -595 -163 -179 95 371 98 -209 -161 -53 -34 -676 376 29 -189 -252 172 315 -78 302 231 28 -97 -60 232 -77 -15 132 283 446 384 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