File name: Pandora64s1_NewHavenCT_20241110_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241111T044054.1Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241110_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: 20241110 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 20241110T123010.0Z 9080.520949 73 1 48.36 2 81.56 122.13 150.67 13.91 0.00 1 0.00 1 0 25 4.440e-01 3.927e-02 1.391e-01 7.730e-03 6.489551e-01 4.271140e-03 9.176640e-03 -6.000000e+00 2.630710e-01 223.51 -2.00 3.52 -2.00 321.19 0.00e+00 4.372484e-02 1.836626e-03 1.808959e-03 -6.000000e+00 1.174328e-02 280.71 -2.00 20.00 -2.00 320.66 0.00e+00 6.415 0.005 302.00 328.00 3 2.2648e+00 1.3745e-02 7.5580e-02 -6.0000e+00 6.4741e-01 9.0598e-01 1.6026e-02 6.0684e-02 -6.0000e+00 7.0324e-01 -1.1296e+00 1.1533e-02 2.4615e-02 -6.0000e+00 4.1977e-01 4.8531e-01 5.8722e-03 3.4972e-02 -6.0000e+00 1.7896e-01 3.8366e-05 -6.5265e-03 2.2133e-04 5.0919e-04 -6.0000e+00 1.3198e-02 1.1730e-02 -5.3573e-04 12 8 8 10 0 0 99.91 21.13 0.14 0.01173 -0.03731 24 6 1 5 0 2014.950 25.68 20.02 21.13 9.63 38.0 947.32 38838 73313 88944 65670 -144007 83822 25249 81532 -1246 -21273 -71968 3786 -13815 37611 63062 111073 52769 136286 87025 106546 113684 163491 155469 65825 33006 62266 29054 21221 41998 -30261 79641 52936 86205 86620 67921 61105 55359 39077 44348 21855 47008 28112 49676 7312 34088 50234 62500 32639 54826 15259 61046 24867 65682 16153 29098 6079 11443 -367 19613 15966 6436 10193 26158 9993 28626 10977 15906 20165 10449 5706 4129 2576 320 -5269 -6304 -6766 7954 -6970 -2157 1527 -3713 -5681 -4095 -5780 -5050 -7207 -2671 -2178 1107 -549 -2004 -1482 -8343 -8463 -6898 -1909 -4770 1226 709 630 -161 440 -5406 -1494 -3739 -4503 -4580 2028 -2198 -57 -105 -32 -1077 414 -698 -1903 480 1214 1777 2880 1381 2641 3286 3727 3912 2864 -3 1597 1900 1667 1779 353 2 -744 369 -470 -1077 -302 38 -624 -1307 -2568 1515 2243 2366 1922 -25192 1461 642 999 -31 -571 -2967 98 -582 1334 2265 3139 2784 3595 3588 3764 3427 2793 2500 2047 1244 1643 1054 870 1583 -2737 3264 3121 4345 4284 3647 3425 3191 2807 3244 2122 3668 2779 4273 961 3869 5167 5985 4442 6198 2549 7389 4332 8358 3253 4971 1255 2151 -75 3236 2868 1401 2446 6101 3046 7396 3282 4536 5607 3513 2107 1612 1021 123 -1977 -2281 -2249 2252 -2457 -856 660 -1935 -3376 -2542 -3818 -3522 -5119 -1889 -1558 802 -385 -1332 -928 -5494 -5996 -5282 -1636 -4891 1351 831 722 -173 422 -5156 -1416 -3870 -4917 -5397 2430 -2913 -83 -166 -53 -1757 641 -1045 -2839 725 1914 2951 4825 2296 4171 5012 5434 5521 3985 -4 2434 3281 3061 3554 722 3 -1715 892 -1181 -2639 -743 95 -1497 -2989 -5632 SS 20241110T130542.8Z 9080.545634 90 1 4.11 2 76.13 128.77 148.17 29.47 0.00 1 0.00 1 0 17 9.421e-02 8.380e-03 5.171e-02 3.816e-03 4.563128e-01 2.020592e-03 5.423781e-03 -6.000000e+00 5.600984e-02 223.51 -2.00 3.52 -2.00 319.37 0.00e+00 1.311997e-03 5.522557e-04 7.113143e-04 -6.000000e+00 2.490237e-03 280.71 -2.00 20.00 -2.00 318.74 0.00e+00 4.077 0.001 302.00 328.00 3 1.7660e+00 5.6275e-03 4.6787e-02 -6.0000e+00 1.3785e-01 2.4825e-02 6.5911e-03 2.3642e-02 -6.0000e+00 1.4958e-01 -8.8412e-03 5.1666e-03 1.2007e-02 -6.0000e+00 8.9290e-02 -6.6936e-03 2.7134e-03 3.6912e-03 -6.0000e+00 3.8186e-02 9.4854e-04 -3.8874e-04 1.1772e-04 4.4967e-05 -6.0000e+00 2.7982e-03 1.2761e-03 -6.5261e-05 12 9 1 12 1 1 27.47 21.13 0.17 0.00128 -0.00165 12 37 1 5 0 315.770 25.68 19.99 21.13 10.55 37.9 951.22 -21144 -4371 -25532 -1248 -72915 -7636 -38817 13167 -24537 9377 -31212 10741 -14098 4515 -1972 10345 -14464 15301 -10118 16992 -12400 7208 -3148 5461 -6867 8494 -6722 5900 -12733 1105 -5042 2626 1026 3763 -7387 -406 -5540 436 -3309 -723 11 433 -2541 333 -262 2467 -688 419 -574 -1238 1371 778 845 1051 434 52 2251 476 577 -938 935 1983 2714 2749 2351 -720 958 -497 1476 1200 2268 -268 477 326 710 -1811 -54 -2695 23 -1127 -1609 -1319 -2040 -2221 -191 -2 40 -2 1003 -341 435 325 -949 -44 564 558 268 1081 2 -827 -327 -1437 -1497 420 481 -1714 -492 -873 14 406 289 401 -27 185 -273 370 375 -176 348 726 -216 230 495 563 746 912 -1471 772 584 251 92 -420 -847 -47 348 -3 6 55 28 -152 -121 -518 -454 -86 -643 -23 -2588 -146 -1122 256 -772 223 -1161 304 -621 199 -102 533 -1030 878 -788 1061 -1051 510 -264 453 -681 752 -686 510 -1327 109 -602 322 143 511 -1078 -59 -900 80 -754 -184 3 117 -735 94 -76 704 -204 125 -178 -410 487 302 352 439 189 23 1009 215 256 -429 445 1029 1535 1572 1330 -425 555 -285 933 850 1598 -198 340 232 460 -1098 -33 -1626 15 -821 -1328 -1147 -1897 -2199 -190 -2 44 -2 1083 -352 436 307 -879 -42 573 638 328 1388 3 -1072 -412 -1684 -1706 499 610 -2217 -670 -1214 21 629 457 636 -43 279 -407 536 558 -265 553 1180 -350 361 756 853 1091 1283 -2082 1145 915 409 159 -734 -1554 -88 685 -5 11 111 56 -303 -232 -963 SS 20241110T133024.6Z 9080.562784 104 1 21.94 2 72.65 133.71 145.59 38.91 0.00 1 0.00 1 0 17 7.647e-02 1.078e-02 2.190e-02 3.497e-03 3.751630e-01 1.831295e-03 4.499370e-03 -6.000000e+00 4.546130e-02 223.51 -2.00 3.52 -2.00 318.49 0.00e+00 1.896783e-03 3.753868e-04 3.724120e-04 -6.000000e+00 2.021286e-03 280.70 -2.00 20.00 -2.00 317.82 0.00e+00 3.305 0.001 302.00 328.00 3 4.0140e+00 4.9275e-03 3.7974e-02 -6.0000e+00 1.1189e-01 7.8159e-02 5.6178e-03 1.9172e-02 -6.0000e+00 1.2141e-01 -3.8769e-02 3.8008e-03 9.6701e-03 -6.0000e+00 7.2474e-02 7.4769e-03 1.9775e-03 3.1772e-03 -6.0000e+00 3.0993e-02 2.2558e-04 -3.9138e-04 1.0882e-04 3.6568e-05 -6.0000e+00 2.2713e-03 1.7337e-03 -5.7210e-05 12 9 9 12 1 1 99.23 21.13 0.07 0.00173 -0.00121 9 5 1 5 0 2193.090 25.68 19.99 21.13 11.77 38.6 957.46 -8946 64 -9550 -20165 -80138 -4250 -4447 9851 -5219 -2130 -18052 -3397 1648 278 -593 -225 -883 2435 1664 -69 4774 1598 5785 -474 1208 -1671 -476 563 2177 -10581 4791 -58 3807 445 -3240 -1578 3041 -1269 2077 -1261 1424 -1434 1739 -2619 179 1502 993 320 995 -827 3215 1488 3160 92 1362 -456 1554 -620 771 580 1347 1143 2048 1818 2054 -1287 -288 -761 802 1184 20 836 -469 -25 -653 -272 -2296 -2897 -632 -188 -2571 -1268 -2332 -1708 -774 -648 109 467 1451 803 108 599 -1337 -28 -341 698 323 1334 155 -649 -928 -1337 -2104 18 332 -1563 -501 11 -199 598 776 356 122 583 -225 -19 723 -196 644 646 24 -42 731 139 890 556 -1306 950 1334 -42 269 -857 -464 -472 287 13 -396 347 354 -434 6 -828 -437 3 -510 -1095 -6934 -187 -213 457 -307 -126 -1280 -235 128 26 -64 -25 -105 300 215 -9 626 217 794 -73 192 -281 -78 86 324 -1894 819 -11 787 94 -678 -344 714 -367 651 -464 547 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