File name: Pandora187s1_PittsburghPA_20231207_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T184829.2Z 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_20231207_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: 20231207 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 20231207T142339.4Z 8741.599762 279 1 46.44 2 74.15 140.15 48.65 209.54 0.00 1 0.00 1 0 17 3.245e-01 1.344e-02 2.303e-01 1.122e-02 4.372199e-01 5.726550e-03 5.086571e-03 -6.000000e+00 1.852145e-01 222.89 -2.00 3.49 -2.00 319.84 0.00e+00 -4.276986e-04 1.751981e-03 2.360350e-04 -6.000000e+00 8.100245e-03 276.91 -2.00 20.00 -2.00 319.28 0.00e+00 3.598 0.001 302.00 328.00 3 5.1130e+00 1.6378e-02 4.1123e-02 -6.0000e+00 4.5601e-01 6.8072e-02 1.9721e-02 2.2355e-02 -6.0000e+00 4.9594e-01 -6.1896e-03 1.7108e-02 1.1458e-02 -6.0000e+00 2.9546e-01 -4.4841e-03 8.9395e-03 3.4499e-03 -6.0000e+00 1.2713e-01 5.7613e-05 5.2186e-04 3.3721e-04 3.8324e-05 -6.0000e+00 9.0289e-03 -9.8674e-04 1.0818e-04 12 8 8 10 0 0 99.97 18.81 0.41 -0.00099 0.00293 25 8 1 5 0 1857.220 22.19 14.99 18.81 8.83 27.3 911.64 85402 292489 158877 -43553 -42070 -43861 6849 -29839 11493 -9702 -13699 -15278 37580 3365 -30295 15555 -13146 24595 -13838 25589 35330 -9254 -24670 17270 -7023 -28367 -10403 2210 -4405 -7351 -17501 -5321 90287 6661 -5378 3022 12975 6280 -416 4750 -9858 -2136 5768 -3563 4383 -501 -2405 -2658 -819 -5763 4937 -2893 -1589 1747 7289 6358 408 2288 4475 -3482 -2343 2257 4190 1987 3418 -16 664 -41 -1006 1705 1276 -947 994 608 -1325 -4456 -3429 -3579 -1230 -417 -3776 -479 -1326 -1545 -1201 -248 2583 1840 1418 2170 -39 741 1105 2012 -706 -1145 -1107 -1494 -596 1315 -760 -993 1152 509 -2385 -2064 -918 1 1350 851 -259 1280 352 -130 -8 -593 142 -272 290 -326 -875 619 -396 155 -493 -1035 1665 2016 1255 -437 -234 473 -461 1103 102 -1063 672 -291 -294 0 586 -1063 934 3198 1737 -987 -854 -891 91 -653 189 -212 -321 -394 675 103 -1538 571 -698 961 -843 1099 1407 -578 -1888 944 -527 -2770 -853 152 -333 -594 -1752 -533 3873 684 -593 308 1332 819 -71 903 -2225 -508 1315 -902 1029 -124 -607 -675 -207 -1605 1345 -932 -544 619 2551 2321 161 880 1641 -1377 -956 963 1942 1015 1719 -8 314 -20 -546 1023 832 -650 656 381 -771 -2407 -1710 -1801 -671 -260 -2773 -378 -1127 -1393 -1157 -252 2664 1947 1487 2138 -36 633 897 1670 -666 -1228 -1340 -1867 -765 1722 -938 -1120 1227 575 -2979 -2698 -1251 2 1919 1321 -431 2110 564 -196 -12 -874 213 -431 452 -527 -1407 951 -640 238 -729 -1469 2265 2910 2008 -716 -405 839 -860 2143 212 -2315 1467 -648 -643 1 1156 -2050 SS 20231207T144456.6Z 8741.614544 285 1 46.82 2 71.68 144.59 50.87 215.73 0.00 1 0.00 1 0 25 9.075e-02 1.239e-02 1.229e-01 1.010e-02 3.816044e-01 5.092576e-03 4.574157e-03 -6.000000e+00 5.179792e-02 222.89 -2.00 3.49 -2.00 319.28 0.00e+00 5.168032e-06 1.297117e-03 1.732907e-04 -6.000000e+00 2.265486e-03 276.91 -2.00 20.00 -2.00 318.70 0.00e+00 3.141 0.001 302.00 328.00 3 5.4731e+00 1.4136e-02 3.5935e-02 -6.0000e+00 1.2753e-01 8.4178e-02 1.6468e-02 1.9524e-02 -6.0000e+00 1.3870e-01 -2.2781e-02 1.2748e-02 9.8789e-03 -6.0000e+00 8.2632e-02 6.2508e-03 6.7692e-03 2.9228e-03 -6.0000e+00 3.5550e-02 6.5656e-05 -2.2827e-04 3.0140e-04 3.3473e-05 -6.0000e+00 2.5251e-03 -1.0449e-03 8.0673e-05 12 8 8 10 0 0 99.97 18.81 0.24 -0.00104 -0.00276 24 7 1 5 0 1950.250 22.19 15.00 18.81 9.32 27.3 914.58 40146 51621 12546 -2619 -32825 -5884 -31104 429 -3291 18819 -16910 26337 -22003 16042 -19334 13568 -9877 16610 -6901 7779 8802 -14365 -12626 2919 3627 -20533 938 -5799 4589 -8028 -5343 123 2843 -1144 -3055 -839 5569 -4050 -4344 3233 -6773 -1620 2627 1448 104 1837 -1178 875 -1845 -1486 4045 -289 157 725 5589 1428 2713 1952 5085 -3482 1493 301 5269 2248 2923 -694 -29 543 -1511 1324 867 693 -49 -56 908 -805 -4501 -1588 -3329 -1867 -3337 1149 -2785 -2833 -1106 -367 2552 1508 498 762 265 704 1648 88 -370 -742 -585 -2060 1375 412 -924 -1143 -863 408 -1690 -1525 -1374 -59 1507 774 141 1821 -106 240 -90 -381 215 -11 164 243 -873 -253 -983 480 -374 -594 1987 1674 2479 -390 305 95 -166 570 -92 -710 113 -40 -435 -152 -38 -518 678 872 327 -76 -1155 -153 -1116 13 -113 556 -726 778 -1223 722 -1455 830 -820 1122 -621 629 718 -1475 -1323 281 370 -2788 111 -694 469 -949 -676 16 407 -176 -454 -121 835 -789 -1027 830 -2114 -506 812 457 33 580 -380 275 -598 -497 1379 -112 65 315 2405 659 1258 904 2227 -1654 703 156 2858 1345 1727 -399 -16 298 -927 894 636 526 -37 -40 586 -474 -2547 -867 -2027 -1284 -2637 960 -2581 -2773 -1142 -400 2826 1722 568 821 265 644 1410 78 -361 -816 -722 -2646 1770 517 -1171 -1327 -965 475 -2160 -2043 -1933 -86 2171 1212 235 2983 -169 385 -135 -550 316 -17 251 386 -1394 -391 -1594 731 -548 -832 2651 2363 3789 -614 502 161 -293 1052 -181 -1456 234 -85 -905 -303 -72 -949 SS 20231207T145046.6Z 8741.618595 289 1 45.97 2 71.05 145.84 51.54 217.36 0.00 1 0.00 1 0 25 3.833e-02 5.818e-03 3.160e-02 2.975e-03 3.693408e-01 1.505843e-03 4.405762e-03 -6.000000e+00 2.186612e-02 222.89 -2.00 3.49 -2.00 319.27 0.00e+00 5.340131e-04 3.811672e-04 3.333904e-04 -6.000000e+00 9.566755e-04 276.91 -2.00 20.00 -2.00 318.69 0.00e+00 3.042 0.000 302.00 328.00 3 3.2608e+00 4.1786e-03 3.4797e-02 -6.0000e+00 5.3836e-02 3.5007e-02 4.8658e-03 1.8968e-02 -6.0000e+00 5.8562e-02 -2.8328e-03 3.7547e-03 9.5269e-03 -6.0000e+00 3.4888e-02 -8.1993e-03 1.9878e-03 2.8877e-03 -6.0000e+00 1.5002e-02 6.8525e-04 -3.3763e-04 8.9806e-05 3.2528e-05 -6.0000e+00 1.0661e-03 -1.5880e-04 -3.6784e-05 10 0 0 10 0 0 99.98 18.81 0.37 -0.00016 -0.00270 252 77 1 5 0 182.380 22.19 15.01 18.81 9.50 27.6 916.81 -2308 -6608 -1551 -15382 -16755 -11881 -22905 -10821 -8777 -2364 -14201 -3856 -9616 1108 -6366 1322 -2859 654 -2239 924 -549 -1200 -2325 709 -1298 -3817 -1300 -3947 -1927 -731 1019 -499 5026 -1251 -4596 -3163 -2898 -2330 -2103 -565 -2080 -952 -82 506 264 979 -116 61 -1118 688 618 482 597 1009 1096 1122 981 566 1097 681 1604 1862 2648 1621 236 -98 -483 -552 387 194 396 176 777 761 571 218 -356 -661 -472 -895 -1272 -1399 -2225 -1437 -959 -334 359 484 527 690 520 41 116 28 150 -462 589 425 55 -332 -524 -870 310 -23 -1193 -754 -571 -305 396 304 -36 458 330 267 80 150 -230 -223 -318 -401 -558 -81 265 161 238 -433 983 957 916 608 445 315 170 247 -87 -239 20 -243 -215 36 -226 -577 -57 -192 -45 -483 -482 -316 -731 -345 -308 -83 -569 -148 -457 56 -408 89 -214 50 -187 78 -48 -116 -235 75 -148 -467 -155 -459 -209 -80 121 -67 703 -192 -689 -468 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