File name: Pandora64s1_NewHavenCT_20240519_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240520T045945.6Z 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_20240519_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: 20240519 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 20240519T132225.4Z 8905.557238 278 1 0.31 2 48.29 100.07 143.83 348.35 0.00 1 0.00 1 0 17 1.407e-02 9.675e-03 9.702e-03 5.676e-03 2.233635e-01 3.105417e-03 2.707179e-03 -6.000000e+00 8.623059e-03 231.40 -2.00 3.52 -2.00 315.61 0.00e+00 8.326035e-04 2.994002e-04 4.186963e-05 -6.000000e+00 3.771351e-04 283.90 -2.00 20.00 -2.00 314.94 0.00e+00 1.500 0.000 302.00 328.00 3 2.3153e+00 8.0503e-03 1.9140e-02 -6.0000e+00 2.1598e-02 1.9764e-02 8.9109e-03 1.1681e-02 -6.0000e+00 2.3284e-02 -1.1563e-03 5.1010e-03 5.6641e-03 -6.0000e+00 1.3837e-02 -2.7205e-03 2.2751e-03 1.6323e-03 -6.0000e+00 5.8452e-03 8.8657e-03 -4.4936e-04 1.7449e-04 2.1544e-05 -6.0000e+00 4.1896e-04 -3.6387e-03 -2.3670e-05 12 9 9 12 1 1 999.00 21.53 0.24 -0.00364 -0.00702 1 77 1 5 0 150.960 26.00 20.01 21.53 24.67 38.9 1034.98 2981 -2583 1281 -4764 -2118 -641 -2644 2711 2205 -1428 -2419 -2888 1374 -3337 1379 -489 528 1535 -177 -183 1917 -576 1447 2185 2097 1960 392 -1169 -1433 -1205 3008 -1225 1257 -202 -4023 -3799 -2199 -876 508 -233 -1594 -1629 37 -1433 533 -667 -299 424 -76 -73 2067 1627 465 2196 -18 1440 574 1055 -1103 1715 888 2663 562 2288 457 -1343 220 -1488 -239 1241 210 215 -637 1396 401 -169 -1229 -2096 -859 195 -1293 -1029 -2469 -1476 -220 -414 -837 1065 -127 489 4 -386 -1288 191 991 214 17 783 717 -563 -161 -1295 -1416 983 22 -2291 6 -60 -653 312 513 225 439 92 163 -268 1295 -312 817 427 -630 -60 1177 11 1156 1263 -406 263 963 -7 520 -218 -307 -467 802 68 -720 246 -418 -607 -289 -530 749 -670 341 -1216 -482 -144 -651 700 580 -399 -670 -859 441 -1186 523 -190 208 626 -75 -81 830 -254 649 1017 1010 914 191 -538 -630 -534 1357 -606 617 -98 -2024 -1889 -1203 -524 337 -167 -1176 -1245 29 -1118 408 -512 -222 306 -54 -53 1557 1298 377 1827 -15 1199 487 881 -930 1424 778 2369 522 2167 437 -1202 193 -1322 -222 1210 211 222 -650 1383 383 -152 -1083 -1822 -765 184 -1315 -1098 -2708 -1636 -259 -502 -1029 1304 -156 580 5 -418 -1355 199 1062 244 21 993 927 -709 -197 -1539 -1657 1160 27 -2921 8 -79 -917 444 729 325 616 124 209 -334 1618 -403 1118 596 -894 -84 1616 14 1485 1597 -503 334 1253 -9 720 -301 -434 -673 1176 104 -1102 381 -646 -937 -433 -794 SS 20240519T133432.1Z 8905.565650 285 1 15.09 2 46.06 102.48 144.22 353.24 0.00 1 0.00 1 0 17 1.157e-02 8.253e-03 1.222e-03 7.298e-04 2.172156e-01 3.994244e-04 2.621294e-03 -6.000000e+00 7.089343e-03 231.41 -2.00 3.52 -2.00 315.53 0.00e+00 3.324055e-04 3.800260e-05 4.133565e-05 -6.000000e+00 3.099915e-04 283.90 -2.00 20.00 -2.00 314.88 0.00e+00 1.439 0.000 302.00 328.00 3 2.8600e+00 1.0348e-03 1.8443e-02 -6.0000e+00 1.7756e-02 2.3249e-02 1.1447e-03 1.1300e-02 -6.0000e+00 1.9140e-02 -2.0553e-03 6.5527e-04 5.4917e-03 -6.0000e+00 1.1375e-02 -3.3585e-03 2.9146e-04 1.5201e-03 -6.0000e+00 4.8071e-03 5.5306e-03 -7.6243e-05 2.2453e-05 2.0757e-05 -6.0000e+00 3.4426e-04 -5.0528e-03 3.7804e-05 12 9 1 12 1 1 99.69 21.53 0.23 -0.00505 -0.00563 67 52 1 5 0 221.810 26.00 20.01 21.53 24.91 39.2 1036.46 953 -1062 371 -3428 -5142 -1956 41 1001 1461 -159 -3134 -1893 -38 -422 1172 550 -582 1041 553 1698 1528 -438 871 847 630 1109 751 -1112 -922 -8 1620 -3 2391 82 -4265 -2441 -1800 -878 273 221 -1018 -1049 -457 -938 -508 220 -733 51 -651 -237 1217 1200 682 1335 193 875 1099 635 63 659 599 1359 1140 2070 528 -1520 -538 -1712 487 1658 335 503 -153 571 257 -690 -798 -2073 -657 -286 -1081 -751 -2060 -2201 -344 -448 23 54 920 511 323 294 -763 12 828 383 -86 1152 634 -326 -407 -1413 -1681 219 486 -1305 -279 -805 -294 234 820 408 259 80 -198 -77 516 -233 637 526 83 -200 618 -7 978 896 -854 607 1012 394 560 -510 -647 -422 411 -76 -568 276 173 -424 -83 -820 253 -276 103 -890 -1242 -459 10 271 427 -45 -890 -564 -12 -156 439 221 -242 443 243 762 690 -200 408 388 299 535 353 -530 -417 -4 761 -2 1169 40 -2052 -1205 -987 -522 178 153 -759 -809 -359 -737 -397 169 -551 37 -468 -173 927 964 546 1110 165 756 956 549 54 570 515 1243 1057 1969 511 -1378 -486 -1557 451 1605 348 510 -154 570 248 -606 -685 -1760 -593 -272 -1087 -783 -2285 -2469 -408 -539 29 66 1146 603 367 321 -818 13 898 436 -103 1425 803 -417 -490 -1678 -1969 257 610 -1664 -371 -1075 -411 330 1182 580 363 109 -249 -98 659 -301 843 729 116 -276 825 -9 1278 1118 -1042 756 1331 526 777 -699 -910 -597 612 -113 -868 428 266 -637 -126 -1212 SS 20240519T134350.9Z 8905.572116 291 1 48.32 2 44.35 104.42 144.40 357.05 0.00 1 0.00 1 0 17 1.720e-02 8.853e-03 3.817e-03 1.737e-03 2.138976e-01 9.412261e-04 2.576962e-03 -6.000000e+00 1.054550e-02 231.41 -2.00 3.52 -2.00 316.48 0.00e+00 6.143538e-04 1.095326e-04 9.706008e-05 -6.000000e+00 4.610599e-04 283.90 -2.00 20.00 -2.00 315.75 0.00e+00 1.397 0.000 302.00 328.00 3 5.2481e+00 2.4633e-03 1.8034e-02 -6.0000e+00 2.6413e-02 4.6610e-02 2.7355e-03 1.1178e-02 -6.0000e+00 2.8467e-02 1.5252e-03 1.5901e-03 5.4329e-03 -6.0000e+00 1.6917e-02 -6.0768e-03 7.3705e-04 1.5339e-03 -6.0000e+00 7.1526e-03 5.2575e-04 3.4856e-04 5.4488e-05 1.9370e-05 -6.0000e+00 5.1171e-04 -5.8062e-03 1.2093e-04 11 8 0 10 0 0 100.00 21.53 0.18 -0.00581 -0.00319 134 32 1 5 0 360.520 26.00 20.02 21.53 25.21 39.4 1038.48 2187 -166 2965 -2609 -15043 637 417 251 2909 322 -1875 -1515 447 -687 522 483 -479 1825 583 1792 1223 149 2191 1525 -205 1051 260 -1003 -1155 -987 1457 275 1768 352 -4168 -2061 -2131 -1181 15 -158 -1172 -955 -332 -1278 -867 -198 -535 -64 -1115 -897 1010 1400 1034 1455 533 399 1097 895 76 522 600 1315 1333 2457 768 -1564 -489 -1255 315 1990 541 892 -262 652 122 -863 -856 -2553 -1077 -97 -1265 -1290 -1883 -1733 -498 -315 285 292 1225 695 522 80 -1214 -392 530 195 -25 1314 694 -556 -610 -1607 -1846 13 649 -1681 -427 -397 24 496 1251 479 387 -116 -390 -558 292 -372 473 615 116 -148 836 99 640 605 -1117 402 858 292 601 -661 -736 -324 658 -11 -267 454 227 -428 -58 -919 372 -30 519 -470 -2802 102 71 48 581 68 -394 -337 101 -177 148 146 -149 577 192 601 414 50 756 553 -78 404 98 -355 -389 -334 509 102 691 137 -1589 -803 -927 -593 8 -97 -772 -650 -230 -889 -600 -135 -354 -41 -709 -578 678 985 764 1118 418 320 881 712 60 416 500 1094 1177 2220 674 -1373 -406 -1041 282 1822 531 895 -261 615 106 -730 -671 -1986 -889 -88 -1201 -1334 -2054 -1993 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