File name: Pandora64s1_NewHavenCT_20240413_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240414T050030.0Z 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_20240413_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: 20240413 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 20240413T114513.2Z 8869.489736 83 1 48.34 2 73.90 91.67 102.31 34.61 0.00 1 0.00 1 0 25 1.961e-01 7.092e-03 1.861e-02 6.055e-04 6.128824e-01 3.318868e-04 7.037679e-03 -6.000000e+00 1.188393e-01 228.46 -2.00 3.52 -2.00 320.20 0.00e+00 1.499476e-03 1.188524e-04 4.340454e-04 -6.000000e+00 5.169833e-03 279.99 -2.00 20.00 -2.00 319.64 0.00e+00 3.544 0.001 302.00 328.00 3 7.2512e-01 9.8233e-04 4.8195e-02 -6.0000e+00 2.9592e-01 1.1102e-02 1.2268e-03 3.2437e-02 -6.0000e+00 3.1994e-01 1.4936e-02 1.1439e-03 1.6658e-02 -6.0000e+00 1.9015e-01 -1.4500e-02 5.7917e-04 5.4001e-03 -6.0000e+00 8.0515e-02 3.4735e-03 -5.5438e-04 1.7783e-05 6.2490e-05 -6.0000e+00 5.8319e-03 -3.6047e-03 -2.0380e-05 11 8 0 10 0 0 99.96 21.53 0.17 -0.00360 -0.00777 1074 259 1 5 0 45.000 26.00 20.00 21.53 17.23 38.3 999.03 -73151 -74935 -54207 -78855 -93821 -76183 -52692 -59929 -41013 -54558 -43740 -42651 -23413 -25974 -14503 -13462 -8062 -6946 -5405 -8080 -5653 -10657 -6482 -7855 -5288 -4274 -4386 -6813 -6814 -7764 -997 -1165 1559 -744 -5414 -3579 -2374 -1002 -4 1000 -173 -210 568 12 -108 997 228 969 -401 276 1314 -1092 956 2340 419 1060 895 665 -108 595 464 1631 1653 3022 1294 -658 -15 -988 560 1699 441 701 -14 494 -333 -1146 -910 -1712 -708 -302 -1060 -514 -1827 -2031 -614 -523 247 444 1148 860 504 554 -498 5 714 187 -108 1184 829 -303 -313 -1726 -2018 173 548 -1379 -308 -913 -168 361 877 341 240 175 -215 -385 393 -320 547 190 -327 -529 624 123 922 534 -1331 303 898 187 411 -577 -661 -481 384 -145 -469 493 524 -216 256 -527 -635 -743 -464 -819 -1086 -778 -476 -669 -429 -712 -553 -642 -369 -528 -294 -316 -199 -189 -155 -252 -176 -358 -227 -305 -215 -181 -187 -291 -299 -386 -55 -74 110 -55 -408 -283 -195 -98 0 136 -26 -34 95 2 -19 178 42 185 -81 60 295 -277 259 676 129 338 292 214 -35 190 158 610 691 1267 557 -281 -6 -452 285 963 270 437 -9 280 -173 -550 -424 -841 -395 -195 -737 -400 -1541 -1821 -546 -490 239 433 1094 778 456 476 -425 4 680 205 -127 1524 1111 -397 -382 -1939 -2307 203 643 -1716 -405 -1222 -245 547 1423 567 392 273 -338 -591 614 -497 888 313 -530 -828 990 187 1347 756 -1896 460 1435 330 740 -1102 -1265 -974 821 -306 -1009 1062 1108 -457 514 -1068 SS 20240413T115013.2Z 8869.493209 87 1 2.64 2 72.96 92.51 101.79 35.55 0.00 1 0.00 1 0 25 1.302e-01 7.354e-03 3.619e-02 1.729e-03 5.806981e-01 9.401518e-04 6.744000e-03 -6.000000e+00 7.888647e-02 228.46 -2.00 3.52 -2.00 319.65 0.00e+00 1.414778e-03 2.812596e-04 3.539171e-04 -6.000000e+00 3.431984e-03 279.99 -2.00 20.00 -2.00 319.05 0.00e+00 3.361 0.001 302.00 328.00 3 3.5103e-01 2.6674e-03 4.5599e-02 -6.0000e+00 1.9644e-01 3.0382e-02 3.1829e-03 3.0470e-02 -6.0000e+00 2.1239e-01 -1.4651e-02 2.7193e-03 1.5399e-02 -6.0000e+00 1.2623e-01 -1.3597e-03 1.4132e-03 4.8203e-03 -6.0000e+00 5.3439e-02 6.2261e-03 -7.2975e-04 5.0625e-05 5.5533e-05 -6.0000e+00 3.8720e-03 -3.6788e-03 -7.5004e-05 12 9 1 12 1 1 84.42 21.52 0.21 -0.00368 -0.00916 43 194 1 5 0 59.960 26.00 20.00 21.52 17.43 38.4 999.95 -62577 -43841 -47879 -30460 -70092 -46134 -50918 -23352 -27902 -22064 -35808 -18372 -11996 -12831 -3303 -5845 -4513 -1222 -2905 -3270 2051 -6408 12 -2247 -3458 -2573 -594 -8463 -4180 -6859 -808 -3296 3521 -3768 -2376 -5000 -57 -2869 530 -527 99 -1676 433 -1311 461 -559 56 519 188 -813 1100 -401 1199 1444 169 1416 1413 315 121 -80 323 1207 2019 3214 1715 -1494 -176 -790 1179 1457 1025 474 -93 645 -406 -801 -722 -1901 -1012 -253 -931 -708 -1880 -1715 -530 -223 174 229 1019 1088 225 711 -421 373 523 159 -294 1139 607 -175 -468 -1430 -2048 226 195 -1442 -539 -832 -414 408 716 160 14 297 -142 -329 371 -250 670 453 -440 -417 501 489 1073 689 -1175 376 943 429 586 -552 -753 -457 426 -203 -331 424 386 -373 149 -593 -863 -614 -735 -370 -1096 -653 -841 -335 -470 -379 -686 -352 -270 -362 -103 -217 -182 -53 -135 -162 98 -340 1 -135 -224 -173 -39 -588 -283 -531 -69 -302 343 -402 -241 -556 -7 -428 93 -100 20 -374 99 -309 109 -136 14 132 50 -236 350 -132 421 546 67 580 590 131 50 -33 141 580 999 1712 930 -811 -96 -450 742 965 725 344 -66 425 -247 -476 -415 -1150 -649 -187 -743 -597 -1712 -1654 -514 -227 183 243 1061 1071 220 656 -385 359 535 176 -353 1498 793 -233 -583 -1718 -2371 269 236 -1843 -729 -1150 -597 640 1151 263 22 455 -216 -489 561 -396 1064 733 -704 -644 776 723 1593 991 -1698 552 1467 732 1032 -988 -1419 -876 830 -410 -679 875 782 -750 285 -1131 SS 20240413T115512.7Z 8869.496675 90 1 48.85 2 72.02 93.34 101.26 36.48 0.00 1 0.00 1 0 25 1.919e-01 1.081e-02 7.256e-02 3.750e-03 5.536909e-01 2.054145e-03 6.537710e-03 -6.000000e+00 1.162159e-01 228.46 -2.00 3.52 -2.00 319.99 0.00e+00 2.461377e-03 6.690835e-04 1.168490e-03 -6.000000e+00 5.056811e-03 279.99 -2.00 20.00 -2.00 319.41 0.00e+00 3.196 0.001 302.00 328.00 3 4.4922e+00 5.9450e-03 4.3655e-02 -6.0000e+00 2.8939e-01 9.3318e-02 7.1876e-03 2.9545e-02 -6.0000e+00 3.1294e-01 -3.7383e-02 6.2096e-03 1.5292e-02 -6.0000e+00 1.8599e-01 5.4548e-03 3.1850e-03 4.8189e-03 -6.0000e+00 7.8701e-02 1.1530e-04 -1.2519e-03 1.1239e-04 6.2250e-05 -6.0000e+00 5.7060e-03 -1.9930e-03 -1.0852e-04 12 8 8 10 0 0 99.96 21.52 0.25 -0.00199 -0.01140 36 9 1 5 0 1356.810 26.00 19.99 21.52 17.56 38.3 1000.52 -66994 -83211 -70872 -81840 -18103 -76010 -71143 -85366 -8730 -54932 -32232 -8363 -13500 -33889 -1152 -10204 -1143 -10932 146 6925 -3987 20755 14407 -1791 -2969 -1908 -1711 -8310 -10561 -31767 -3464 2183 2594 3017 -4386 -7876 -978 -5413 2147 -2274 261 3305 -371 -4920 399 2625 2825 702 -1269 -4576 4108 1736 4753 2592 1331 1418 430 684 2429 2228 336 2399 2455 4495 2455 -1213 -604 1528 575 1540 1369 2491 -1525 405 -1144 -518 1341 -2478 -1378 538 -1958 -3303 -2006 -2195 -736 -397 274 440 1295 1026 -364 815 -2361 -1415 743 873 306 1028 1352 -784 -748 -2203 -3055 -432 27 -1876 -464 291 38 366 1455 502 503 374 -96 -859 353 -516 629 531 -219 -480 1030 344 1490 335 -1312 -18 944 442 206 -814 -552 -474 511 -206 -457 351 920 -483 -88 -593 -1052 -1700 -1341 -1619 -190 -1389 -1362 -2130 -120 -1205 -633 -153 -305 -1159 -34 -384 -43 -498 6 295 -192 790 626 -93 -165 -110 -98 -493 -650 -2671 -257 173 231 272 -409 -806 -106 -695 308 -394 48 625 -76 -1068 84 548 597 156 -299 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