File name: Pandora75s1_EssexMD_20241214_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241215T050911.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241214_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241214 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241214T144034.8Z 9114.611514 345 1 50.49 2 70.63 145.98 111.11 337.88 0.00 1 0.00 1 0 17 9.247e-02 9.175e-03 7.034e-02 5.414e-03 3.923861e-01 2.851072e-03 4.730452e-03 -6.000000e+00 5.513424e-02 223.10 -2.00 3.48 -2.00 319.57 0.00e+00 2.482005e-03 7.953764e-04 1.101359e-03 -6.000000e+00 2.415848e-03 278.52 -2.00 20.00 -2.00 318.98 0.00e+00 2.981 0.000 302.00 328.00 3 4.6525e+00 7.9941e-03 3.5848e-02 -6.0000e+00 1.3563e-01 6.5451e-02 9.3863e-03 2.0347e-02 -6.0000e+00 1.4695e-01 -3.1070e-02 7.4298e-03 1.0906e-02 -6.0000e+00 8.7663e-02 7.2259e-04 3.9034e-03 3.7969e-03 -6.0000e+00 3.7630e-02 1.5650e-04 -1.0663e-03 1.7612e-04 5.1201e-05 -6.0000e+00 2.8427e-03 -2.5047e-02 1.9156e-04 11 9 0 11 24 0 83.03 22.92 0.46 -0.02505 -0.03306 13 2 1 5 0 3883.080 25.79 20.00 22.92 8.48 5.6 882.47 -56863 -21799 1090 -913 27670 -26803 -51168 12433 -23299 18419 2967 -26617 -3649 -2762 -11960 -741 3436 13375 -9194 6764 1797 19900 -852 17361 -2921 -7647 -9527 -2115 -1899 -12582 5847 -4384 -3883 -4634 -10754 -5074 -5823 -2053 -141 -1459 -2739 2070 2334 -2644 2093 228 2042 270 -756 -468 3655 -2777 2853 1630 3448 567 192 1333 1504 -604 -2195 3348 2616 1664 2719 1023 -1067 -551 2488 894 1812 1317 1558 -421 224 -2031 -1947 -2790 -1604 -1296 -1586 -838 -1008 -2090 -1014 -727 493 1380 1290 864 902 242 -1857 -1711 123 -530 772 -49 545 -727 -803 -1662 -376 -1460 -491 -867 -1650 -134 163 913 324 651 689 -577 -431 -191 -259 -346 1028 361 1052 515 662 276 88 724 -378 -9 -11 -15 -264 -106 -685 -331 341 284 719 72 318 -211 -253 -944 -1965 -607 26 -21 452 -720 -1817 257 -760 424 83 -1060 -133 -119 -672 -43 208 783 -715 467 134 1242 -67 1200 -261 -745 -956 -191 -165 -1238 522 -484 -470 -651 -1567 -694 -867 -340 -27 -335 -709 543 636 -773 589 66 579 78 -222 -141 1131 -991 1032 634 1374 239 82 565 626 -256 -979 1526 1316 908 1489 546 -558 -287 1348 549 1203 916 1075 -283 139 -1163 -1031 -1464 -890 -812 -1130 -658 -855 -1900 -973 -741 521 1482 1383 893 867 217 -1603 -1475 111 -542 877 -62 724 -963 -1003 -1936 -411 -1649 -585 -1096 -2215 -188 244 1458 551 1126 1160 -929 -648 -274 -373 -521 1617 597 1741 842 1049 420 129 1004 -517 -13 -16 -24 -459 -193 -1293 -654 707 559 1447 148 648 -419 -530 -1921 SS 20241214T144651.7Z 9114.615876 349 1 52.18 2 69.97 147.33 111.52 339.23 0.00 1 0.00 1 0 17 9.478e-02 1.128e-02 2.111e-02 2.774e-03 3.786797e-01 1.452678e-03 4.501058e-03 -6.000000e+00 5.654979e-02 223.10 -2.00 3.48 -2.00 318.61 0.00e+00 1.805192e-03 3.084593e-04 5.752147e-04 -6.000000e+00 2.476875e-03 278.52 -2.00 20.00 -2.00 318.00 0.00e+00 2.888 0.000 302.00 328.00 3 4.6180e+00 3.9064e-03 3.4462e-02 -6.0000e+00 1.3911e-01 4.3793e-02 4.4607e-03 1.9077e-02 -6.0000e+00 1.5069e-01 -2.2493e-02 3.1175e-03 9.7857e-03 -6.0000e+00 8.9897e-02 -9.1429e-04 1.6389e-03 3.1914e-03 -6.0000e+00 3.8611e-02 1.8241e-04 -5.8516e-04 8.7443e-05 3.8614e-05 -6.0000e+00 2.9136e-03 -2.6291e-02 3.1100e-04 12 9 8 11 8 0 63.36 22.93 0.40 -0.02629 -0.03069 15 2 1 5 0 3478.380 25.79 20.00 22.93 8.55 5.7 882.86 -65364 -535 -17892 18220 -44468 870 26562 -876 -35318 -26061 -32805 -3574 12812 11943 324 1723 -6597 -2266 17634 12787 3884 12714 -2167 1622 -5412 6891 6858 3192 1450 -4393 5623 -5038 -2566 -2055 911 4644 -8107 -1834 -1068 -1777 -1875 1805 -573 1517 1302 3720 1652 -638 1275 82 -55 557 2976 3044 401 29 451 -261 1094 -342 -137 2464 1863 1629 474 -848 -1634 -805 2183 3199 -256 357 1039 -471 272 -213 -2774 -4052 -1713 -2838 -864 -4007 -1254 -276 -883 -291 83 1147 778 1754 -181 -506 -27 -1836 -1257 572 797 1250 283 -67 -1096 -1490 281 -452 -1127 -1049 -223 -44 553 1118 1181 495 68 -144 -221 -406 110 -488 237 573 548 931 1116 343 161 -862 -3 -597 -263 8 -288 -764 -114 -52 -113 3 577 889 -45 -2 -515 -670 -4297 -21 -886 616 -2598 31 754 -36 -2274 -1643 -2290 -197 686 766 27 165 -749 -263 1774 1408 479 1444 -293 223 -843 990 996 465 207 -671 843 -934 -510 -425 179 871 -1864 -458 -315 -563 -662 653 -221 585 506 1421 643 -253 499 34 -24 260 1453 1579 223 17 262 -152 620 -196 -81 1530 1168 1098 328 -569 -1057 -517 1452 2352 -212 308 885 -390 207 -148 -1988 -2882 -1163 -2203 -744 -3652 -1199 -277 -952 -332 92 1292 877 2027 -198 -515 -26 -1779 -1297 646 937 1619 389 -92 -1423 -1798 341 -525 -1405 -1382 -307 -60 798 1722 1926 775 111 -223 -319 -561 152 -708 361 910 879 1464 1700 506 227 -1257 -4 -870 -384 12 -482 -1253 -193 -92 -211 5 1081 1687 -87 -3 -975 -1225 SS 20241214T145233.5Z 9114.619832 352 1 53.01 2 69.38 148.58 111.87 340.48 0.00 1 0.00 1 0 17 7.835e-02 9.877e-03 1.805e-02 2.558e-03 3.740599e-01 1.341663e-03 4.475139e-03 -6.000000e+00 4.671578e-02 223.10 -2.00 3.48 -2.00 318.48 0.00e+00 5.973794e-04 2.734004e-04 5.863826e-04 -6.000000e+00 2.046912e-03 278.52 -2.00 20.00 -2.00 317.86 0.00e+00 2.811 0.000 302.00 328.00 3 4.5733e+00 3.5964e-03 3.3761e-02 -6.0000e+00 1.1492e-01 3.7236e-02 4.0906e-03 1.9029e-02 -6.0000e+00 1.2451e-01 -7.7890e-03 2.8342e-03 9.5267e-03 -6.0000e+00 7.4277e-02 -8.2934e-03 1.4933e-03 2.7654e-03 -6.0000e+00 3.1885e-02 2.0701e-04 -1.1735e-03 8.0669e-05 3.4296e-05 -6.0000e+00 2.4084e-03 -2.4540e-02 2.2637e-04 12 9 8 11 40 0 50.38 22.94 0.83 -0.02454 -0.03336 17 3 1 5 0 3118.190 25.79 20.00 22.94 8.65 5.7 883.86 -58245 -9252 -15150 23272 -34235 -12154 -3693 2380 -22487 -13660 -26190 -2680 13259 21325 -7196 1016 -6808 -1783 8852 8744 4068 6460 2952 1425 -2760 5034 5853 3459 -455 -2053 2427 -3329 8661 -2074 866 -511 -6594 -3702 -1064 -1245 -795 386 -705 446 1898 2523 819 -310 -56 1347 -417 226 2612 2145 -521 -389 884 1001 -95 -1093 -407 1693 1215 1623 394 -481 -906 -497 1567 2920 283 704 418 -1155 399 185 -2907 -3284 -2076 -2300 -1106 -1538 -1402 -553 -284 -1072 190 1231 1289 1385 -229 -342 -173 -2007 -1018 455 704 980 342 -116 -1022 -1622 477 -478 -770 -320 -743 70 653 1107 867 478 220 -441 192 127 420 -298 407 206 156 775 1244 -114 143 -1158 -293 276 -292 -168 -205 -979 -344 -274 -389 -258 773 907 -53 191 65 -878 -3733 -413 -759 778 -1878 -512 -149 100 -1357 -814 -1835 -157 754 1319 -695 103 -812 -215 1015 1047 523 818 399 208 -445 786 917 536 -70 -324 395 -635 1607 -448 177 -105 -1565 -990 -331 -414 -293 150 -287 183 771 1022 336 -128 -23 565 -189 110 1335 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