File name: Pandora64s1_NewHavenCT_20240809_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240810T050246.0Z 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_20240809_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: 20240809 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 20240809T122424.6Z 8987.516951 118 1 48.14 2 63.47 92.19 117.02 73.38 0.00 1 0.00 1 0 17 6.634e-02 1.325e-02 2.121e-02 4.938e-03 2.962542e-01 2.673572e-03 3.499023e-03 -6.000000e+00 4.088135e-02 232.03 -2.00 3.52 -2.00 318.11 0.00e+00 1.570143e-03 4.810872e-04 4.421801e-04 -6.000000e+00 1.823473e-03 289.91 -2.00 20.00 -2.00 317.25 0.00e+00 2.226 0.000 302.00 328.00 3 5.7693e+00 7.2339e-03 2.7260e-02 -6.0000e+00 1.0235e-01 7.7993e-02 8.1719e-03 1.5516e-02 -6.0000e+00 1.1005e-01 -7.4292e-03 5.0218e-03 7.6339e-03 -6.0000e+00 6.5620e-02 -1.6960e-03 2.5036e-03 2.4566e-03 -6.0000e+00 2.7937e-02 1.1899e-04 2.9317e-03 1.5746e-04 2.6946e-05 -6.0000e+00 1.9702e-03 -6.8787e-03 7.0247e-04 12 9 8 11 8 0 99.99 21.46 0.01 -0.00688 0.01515 86 21 1 5 0 559.750 25.90 20.00 21.46 32.15 40.6 1057.68 -4965 2128 -6315 15410 -67727 660 -8528 2361 -7608 6393 -14419 1608 -5027 -104 -775 5268 -2731 11175 -767 6940 1725 8607 5807 3017 -1148 4955 -1058 70 -266 -5425 -4276 2666 5618 126 -3569 -2097 -1281 -618 808 1244 206 -18 433 -3487 628 640 2676 565 1443 -3151 2188 1692 3374 965 2065 -367 1537 -1021 1198 178 1147 220 2674 1504 3335 -2085 -4 -962 1041 -144 911 -206 -15 -339 394 -1361 1888 -3421 -1655 -510 -1779 -1613 -1832 -2522 -594 -821 713 -567 1419 863 196 -256 -1563 -1045 183 558 -435 1211 737 54 -688 -2029 -3328 250 -307 -800 -290 541 -16 797 1047 437 22 495 -777 -334 142 35 10 940 215 604 311 868 740 690 -1858 1255 1210 299 -273 -377 -738 -230 775 -146 -139 879 15 -380 -576 -1162 -386 163 -536 1029 -8927 47 -670 185 -717 543 -1501 155 -596 -13 -115 805 -471 1772 -142 1236 327 1513 1094 615 -238 1056 -235 14 -53 -1172 -992 617 1373 30 -896 -541 -346 -194 296 515 92 -9 208 -1742 302 307 1235 264 663 -1559 1101 910 1880 548 1181 -220 915 -616 739 112 710 149 1890 1127 2374 -1453 -3 -644 752 -117 778 -182 -13 -280 297 -998 1252 -2367 -1228 -397 -1556 -1546 -1853 -2713 -675 -937 836 -683 1654 1009 213 -258 -1498 -1012 189 636 -523 1563 978 69 -835 -2449 -3979 306 -384 -1045 -397 769 -24 1273 1732 719 34 723 -1070 -443 192 49 15 1461 337 922 464 1220 1054 939 -2511 1717 1776 445 -427 -603 -1222 -398 1407 -277 -254 1623 28 -713 -1051 -2065 SS 20240809T123146.3Z 8987.522063 124 1 0.96 2 62.09 93.44 115.75 74.76 0.00 1 0.00 1 0 25 1.205e-02 7.688e-03 6.112e-03 2.400e-03 2.769740e-01 1.305353e-03 3.311853e-03 -6.000000e+00 7.402174e-03 232.03 -2.00 3.52 -2.00 316.76 0.00e+00 4.118215e-04 1.673839e-04 1.181273e-04 -6.000000e+00 3.312298e-04 289.91 -2.00 20.00 -2.00 315.93 0.00e+00 2.125 0.000 302.00 328.00 3 1.5932e+00 3.4372e-03 2.5846e-02 -6.0000e+00 1.8530e-02 1.3169e-02 3.8247e-03 1.4539e-02 -6.0000e+00 1.9946e-02 5.4182e-05 2.2306e-03 7.0240e-03 -6.0000e+00 1.1892e-02 -3.8699e-03 1.0561e-03 1.9256e-03 -6.0000e+00 5.0465e-03 9.1473e-03 -2.4441e-04 7.4315e-05 2.4195e-05 -6.0000e+00 3.5894e-04 -2.7701e-03 -2.3194e-05 12 9 1 12 1 1 98.18 21.46 0.26 -0.00277 -0.00461 9 123 1 5 0 95.080 25.90 20.01 21.46 32.31 40.5 1058.61 -188 -1597 2 -2269 -6303 -1186 -1396 324 -630 -1120 -3765 -2027 -828 -267 747 -178 -1073 1382 79 1980 2045 -23 1716 672 66 1585 306 -1525 -1124 291 686 -1451 1988 -375 -4828 -2573 -1431 -901 693 -131 -578 -403 182 -1426 -383 -18 -602 455 -452 -242 953 900 1316 887 -275 785 1086 869 66 831 900 984 1083 2159 692 -1238 -339 -1097 621 1516 521 540 -566 657 -32 -902 -601 -2036 -412 -655 -1238 -742 -1808 -1997 -279 -619 42 225 788 420 -29 550 -740 9 877 308 29 1108 483 -322 -446 -1311 -1557 222 240 -1007 -581 -823 -269 521 565 535 68 81 -185 -165 597 -130 751 670 -234 -335 644 59 868 1365 -1070 624 858 503 338 -581 -869 -271 394 -2 -623 475 102 -361 -178 -606 -26 -234 0 -306 -819 -162 -190 48 -103 -191 -656 -377 -174 -64 184 -47 -300 397 24 609 632 -7 558 233 22 540 103 -527 -373 98 247 -527 756 -144 -1832 -1005 -622 -427 360 -78 -345 -250 115 -915 -244 -12 -374 293 -292 -151 630 633 916 653 -209 604 843 669 50 641 728 813 957 1871 616 -1041 -274 -896 551 1408 494 523 -543 625 -28 -761 -499 -1697 -349 -594 -1190 -778 -1925 -2254 -320 -752 51 275 947 499 -34 581 -779 9 954 355 35 1399 626 -422 -550 -1586 -1853 277 307 -1303 -791 -1128 -388 761 856 801 98 113 -248 -214 788 -181 1068 957 -338 -493 914 83 1165 1814 -1409 844 1189 711 501 -854 -1320 -415 635 -4 -1034 796 170 -585 -289 -959 SS 20240809T123541.7Z 8987.524788 127 1 1.94 2 61.36 94.12 115.08 75.49 0.00 1 0.00 1 0 17 1.515e-02 8.585e-03 8.111e-03 3.293e-03 2.742438e-01 1.787632e-03 3.286688e-03 -6.000000e+00 9.304771e-03 232.03 -2.00 3.52 -2.00 316.69 0.00e+00 4.152951e-04 2.251592e-04 1.621599e-04 -6.000000e+00 4.162967e-04 289.91 -2.00 20.00 -2.00 315.86 0.00e+00 2.076 0.000 302.00 328.00 3 2.8740e+00 4.7034e-03 2.5365e-02 -6.0000e+00 2.3293e-02 3.4663e-02 5.2346e-03 1.4396e-02 -6.0000e+00 2.5070e-02 -4.2847e-03 3.0453e-03 6.9546e-03 -6.0000e+00 1.4946e-02 -2.3224e-03 1.4363e-03 1.9013e-03 -6.0000e+00 6.3453e-03 2.6510e-03 2.3632e-05 1.0203e-04 2.4167e-05 -6.0000e+00 4.5101e-04 -3.1922e-03 5.8014e-05 12 9 1 12 1 1 99.85 21.47 0.25 -0.00319 -0.00301 5 36 1 5 0 322.480 25.90 19.97 21.47 32.46 40.6 1059.69 392 1445 -493 -1105 -10689 -2233 -2394 -1696 1903 867 -1637 -2608 718 -2503 2199 329 -353 82 1685 993 3094 -1774 2215 212 947 519 500 -2548 506 -2172 1413 -1048 2179 -2203 -3071 -2851 -1899 -1631 964 -164 -525 -662 -153 -1580 57 -731 125 -933 -289 247 1052 1389 1692 1073 677 210 1433 1007 630 244 768 1210 1063 2707 707 -852 -74 -1869 879 1348 398 413 -538 1225 98 -469 -1929 -1512 -984 -395 -1533 -676 -2065 -2084 -387 -224 -328 164 1340 360 -349 646 -1374 -140 432 517 -257 1374 461 -316 -886 -1456 -1578 125 399 -1434 -491 -328 -292 663 785 226 316 57 64 -109 585 -123 882 227 108 -215 646 101 1338 629 -969 551 1161 205 692 -488 -512 -572 509 -453 -376 175 184 -469 93 -734 58 221 -77 -159 -1556 -302 -351 -275 325 154 -297 -478 145 -594 563 92 -103 23 488 301 924 -555 697 72 331 187 176 -864 160 -720 487 -393 858 -894 -1186 -1154 -798 -802 514 -100 -322 -423 -100 -1045 37 -478 79 -589 -179 157 710 991 1197 803 518 166 1128 787 488 192 598 1011 951 2363 637 -722 -60 -1551 783 1263 380 404 -520 1166 86 -397 -1631 -1257 -840 -358 -1479 -708 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