File name: Pandora187s1_PittsburghPA_20230928_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T181026.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20230928_L1_smca1c5d20230706p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20230928 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: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20230928T133213.9Z 8671.564050 271 1 47.19 2 65.34 116.34 127.49 299.05 0.00 1 0.00 1 0 25 1.096e-01 2.253e-02 9.360e-02 1.557e-02 2.951602e-01 7.976255e-03 3.655090e-03 -6.000000e+00 6.369163e-02 227.71 -2.00 3.49 -2.00 318.46 0.00e+00 -1.659975e-03 1.576629e-03 1.839034e-04 -6.000000e+00 2.833218e-03 285.27 -2.00 20.00 -2.00 317.68 0.00e+00 2.380 0.000 302.00 328.00 3 6.9081e+00 2.1634e-02 2.7816e-02 -6.0000e+00 1.5808e-01 5.6638e-02 2.4708e-02 1.5605e-02 -6.0000e+00 1.7115e-01 -1.4196e-02 1.6199e-02 7.7493e-03 -6.0000e+00 1.0209e-01 9.6190e-03 8.3640e-03 2.4882e-03 -6.0000e+00 4.3777e-02 3.6285e-05 3.4566e-04 4.7172e-04 2.8428e-05 -6.0000e+00 3.0532e-03 3.5166e-03 1.1765e-05 12 8 8 10 0 0 99.96 17.72 0.10 0.00352 0.00611 15 5 1 5 0 3145.350 21.17 15.00 17.72 20.77 27.4 938.64 21990 14030 62 1730 -31667 -35858 61089 11336 36542 5161 -1981 13472 -12812 3964 -14557 4702 1639 35865 -8033 20823 10679 -6729 -30336 7285 -694 -5371 2130 27760 9983 -6508 5304 -9920 50106 1841 -9575 -5184 7456 -6486 -126 -284 -3947 -5229 3489 -5386 1515 6931 3888 94 -2424 881 3119 -3323 -4780 2711 6314 7304 1740 4228 997 -2591 -940 2840 4840 1724 4118 -1978 2508 -3100 182 -1554 2297 -1212 -716 -2430 -3060 -2279 -4649 -3304 -2464 -1905 -6140 1141 -4077 -1150 918 1195 2743 3947 1191 4298 891 -418 3006 685 -2607 -433 -270 -3320 908 1955 -716 -2821 -91 -842 -3089 -1481 -1677 -1029 3100 248 443 1871 123 -710 -1028 -794 718 -182 981 -166 -2027 1272 -2270 848 -1864 841 1435 3570 3061 -357 1082 248 1172 1183 841 -2502 460 -754 -63 -521 226 -968 1049 791 4 105 -2404 -2761 1921 664 1863 381 -157 950 -1320 396 -1989 581 219 3540 -1281 2574 1482 -1109 -6580 1251 -127 -1072 420 3955 1586 -1216 942 -2225 6671 402 -2203 -1144 1611 -1901 -42 -109 -1715 -2400 1504 -2541 664 2858 1616 40 -1039 373 1380 -1684 -2607 1447 3355 3941 1008 2365 563 -1516 -563 1771 3211 1240 2819 -1328 1523 -1998 124 -1220 1870 -1051 -608 -1998 -2319 -1536 -2949 -2034 -1632 -1421 -5357 1014 -4043 -1170 983 1360 3213 4656 1424 4708 927 -403 2619 618 -2636 -477 -331 -4583 1233 2523 -879 -3265 -100 -996 -4019 -1987 -2364 -1512 4648 408 757 3116 198 -1063 -1428 -1063 969 -262 1499 -267 -3322 1968 -3518 1211 -2604 1085 1797 4583 4258 -548 1700 401 1938 2062 1557 -4953 903 -1517 -124 -991 409 -1718 SS 20230928T134231.4Z 8671.571197 279 1 45.85 2 63.60 118.44 129.06 301.43 0.00 1 0.00 1 0 17 1.467e-02 6.265e-03 1.241e-02 2.533e-03 2.666600e-01 1.287370e-03 3.224532e-03 -6.000000e+00 8.525566e-03 227.71 -2.00 3.49 -2.00 318.25 0.00e+00 5.633677e-04 2.416242e-04 1.839609e-04 -6.000000e+00 3.791860e-04 285.27 -2.00 20.00 -2.00 317.47 0.00e+00 2.236 0.000 302.00 328.00 3 3.7643e+00 3.4675e-03 2.5715e-02 -6.0000e+00 2.1160e-02 2.0516e-03 3.9442e-03 1.3990e-02 -6.0000e+00 2.2907e-02 5.2090e-03 2.5534e-03 6.8348e-03 -6.0000e+00 1.3665e-02 -8.5502e-03 1.3189e-03 2.0405e-03 -6.0000e+00 5.8611e-03 1.0309e-03 1.3996e-04 7.5673e-05 2.2914e-05 -6.0000e+00 4.0866e-04 1.6208e-03 2.5498e-06 10 0 0 10 0 0 99.99 17.72 0.42 0.00162 0.00267 353 108 1 5 0 129.870 21.17 15.00 17.72 21.17 27.4 940.94 -914 -4268 296 -5870 -4134 -3783 -2655 -2652 -560 -3579 -6406 -2757 -4249 -184 -2334 930 -1236 2132 -43 2220 708 893 -96 1268 513 -472 -161 -1230 -75 -210 843 633 2872 -1769 -3560 -2386 -1374 -1687 -667 -1195 -1158 -818 -625 -622 -269 -32 -505 -386 -1073 519 529 396 653 1035 1025 1535 1230 772 563 651 1123 1556 1921 1603 220 -336 -114 -533 612 205 388 264 366 633 435 245 -344 -775 -235 -856 -1319 -1553 -2377 -1384 -814 -518 214 447 502 749 402 -82 408 190 -195 -300 622 589 -46 -504 -573 -938 299 -13 -1068 -668 -608 -290 470 407 134 199 349 91 92 93 -207 -253 -322 -479 -505 -110 99 296 527 -278 822 1174 864 791 540 485 321 380 81 -434 133 -260 -434 -104 -479 -658 -60 -316 21 -424 -263 -231 -170 -191 -44 -303 -555 -239 -422 -20 -299 127 -181 314 -7 353 116 145 -16 224 96 -92 -34 -249 -14 -39 168 137 655 -428 -825 -546 -344 -497 -234 -487 -512 -376 -295 -295 -127 -15 -234 -175 -483 234 254 204 354 588 599 912 743 464 334 387 693 1035 1381 1215 165 -233 -74 -348 431 164 333 234 320 526 333 169 -218 -484 -158 -654 -1134 -1464 -2392 -1455 -916 -619 242 515 630 887 439 -82 378 178 -198 -339 776 804 -59 -688 -726 -1103 341 -16 -1415 -924 -883 -400 683 629 216 317 525 139 130 127 -290 -377 -516 -731 -774 -165 157 446 755 -382 1087 1616 1284 1250 891 742 506 632 143 -801 250 -497 -822 -189 -847 -1129 SS 20230928T135046.3Z 8671.576925 285 1 3.76 2 62.24 120.17 130.30 303.41 0.00 1 0.00 1 0 17 1.415e-02 6.903e-03 1.566e-02 4.980e-03 2.559693e-01 2.554072e-03 3.116630e-03 -6.000000e+00 8.223435e-03 227.71 -2.00 3.49 -2.00 317.28 0.00e+00 2.660442e-04 3.675142e-04 7.183056e-05 -6.000000e+00 3.657260e-04 285.27 -2.00 20.00 -2.00 316.51 0.00e+00 2.136 0.000 302.00 328.00 3 3.5065e+00 6.7280e-03 2.4565e-02 -6.0000e+00 2.0411e-02 8.0107e-03 7.5510e-03 1.3293e-02 -6.0000e+00 2.2095e-02 2.8665e-03 4.5450e-03 6.5159e-03 -6.0000e+00 1.3180e-02 -7.8559e-03 2.2519e-03 1.8529e-03 -6.0000e+00 5.6542e-03 1.4908e-03 1.0725e-04 1.4650e-04 2.2230e-05 -6.0000e+00 3.9414e-04 -5.3739e-04 -5.5076e-05 12 9 1 12 1 1 -84.69 17.72 0.35 -0.00054 0.00027 5 23 1 5 0 624.320 21.17 15.00 17.72 21.60 27.4 943.83 -1729 -1809 -2479 -34 -6003 -1580 -3104 179 -2492 -2682 -7184 2048 -1510 1815 1111 936 1981 -34 545 870 1215 -89 2420 -713 1772 -335 410 -1167 -277 775 1451 588 2536 -1292 -5049 -1325 -3298 -1767 -2275 -106 -1426 -742 -112 49 76 65 135 -1289 -318 745 698 -609 946 896 865 911 1558 918 814 259 1674 2036 2465 1227 -55 -393 -228 -552 555 137 -122 571 -196 504 -6 378 -1463 -1228 -1121 -495 -1055 -1659 -2217 -925 -729 -384 536 88 627 646 300 -30 106 -410 -354 -253 534 210 -29 3 -512 -898 -47 282 -620 -409 -901 -181 255 305 504 500 396 248 85 216 -92 -322 -125 -542 -328 -50 185 -233 58 -591 1310 1167 1004 485 875 238 -11 191 159 -388 114 -91 -721 107 -416 -587 -188 -215 -303 -4 -636 -154 -327 20 -324 -367 -1022 275 -235 314 220 204 445 -8 134 221 313 -23 630 -202 516 -103 124 -337 -74 204 404 178 814 -436 -1660 -419 -1175 -728 -1027 -54 -800 -431 -66 29 45 38 78 -738 -177 417 416 -393 635 632 575 618 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