File name: Pandora64s1_NewHavenCT_20231015_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231017T073731.9Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231015_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: 20231015 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 20231015T122848.3Z 8688.520004 79 1 10.81 2 75.58 115.45 84.78 112.23 0.00 1 0.00 1 0 25 1.837e-01 1.734e-02 9.046e-02 5.847e-03 4.830284e-01 3.129601e-03 5.878170e-03 -6.000000e+00 1.103152e-01 225.91 -2.00 3.52 -2.00 319.54 0.00e+00 3.397577e-03 8.951593e-04 1.445118e-03 -6.000000e+00 4.925319e-03 284.03 -2.00 20.00 -2.00 318.87 0.00e+00 3.932 0.001 302.00 328.00 3 3.4331e+00 8.8480e-03 4.6706e-02 -6.0000e+00 2.7268e-01 1.0897e-01 1.0422e-02 2.5679e-02 -6.0000e+00 2.9510e-01 -1.1700e-01 7.9917e-03 1.3337e-02 -6.0000e+00 1.7618e-01 5.2647e-02 4.1528e-03 4.3822e-03 -6.0000e+00 7.5319e-02 1.9001e-04 -9.4504e-04 1.7728e-04 5.9784e-05 -6.0000e+00 5.4604e-03 -6.6966e-03 -7.1667e-05 12 9 9 12 1 1 70.56 21.00 0.03 -0.00670 -0.01380 5 6 1 5 0 1800.520 25.58 20.00 21.00 17.21 37.4 980.37 -15265 51743 -7590 67128 -167650 7102 -49090 -14763 -42110 6974 -24825 13199 -22222 7703 -2171 14950 -3781 24086 -4327 36068 -4320 26348 541 17845 -547 5599 -11874 4802 2365 -7153 2306 10285 2101 9482 -3207 6604 7215 -1729 4018 413 181 -2751 3337 70 1642 -81 7555 4944 3547 -916 6038 2337 3011 2200 2224 1021 2480 -186 1253 731 3009 1695 4381 3331 4125 -1267 2379 -936 1192 711 2955 -580 -1087 -289 1075 -3583 -233 -4772 -181 -1243 -1057 -1899 -2678 -1783 -1050 -1049 329 -694 1024 117 -954 115 -2062 -1150 -243 -18 -924 925 825 -202 -1027 -1861 -3032 46 569 -1538 -1428 266 -34 124 890 1210 41 1186 -347 -805 861 199 107 759 -45 448 643 1624 1457 1010 -1118 1049 1327 661 129 21 -500 -812 118 -319 -746 599 128 -195 -614 -974 -338 677 -176 720 -14863 131 -1617 -383 -1574 168 -849 355 -987 325 -114 749 -246 1286 -322 1872 -338 1518 43 1253 -48 481 -1204 396 200 -721 243 1114 262 1169 -406 838 975 -302 791 97 44 -723 860 19 441 -23 1953 1339 999 -286 1933 842 1154 867 902 432 1049 -80 520 309 1314 825 2287 1812 2212 -684 1293 -517 719 483 2001 -416 -761 -198 665 -2112 -133 -2791 -114 -872 -837 -1622 -2456 -1651 -1038 -1095 340 -735 1094 120 -917 107 -1892 -1094 -245 -20 -1105 1205 1076 -266 -1278 -2221 -3524 55 694 -1995 -1904 370 -50 190 1448 1982 67 1849 -519 -1174 1266 308 169 1231 -73 700 1007 2405 2156 1447 -1601 1567 2105 1107 224 37 -921 -1537 236 -641 -1533 1231 261 -393 -1189 -1872 SS 20231015T131820.3Z 8688.554401 114 1 48.15 2 67.57 125.22 76.82 121.03 0.00 1 0.00 1 0 17 1.766e-02 7.768e-03 6.048e-03 1.437e-03 3.274098e-01 7.616794e-04 3.941035e-03 -6.000000e+00 1.060866e-02 225.90 -2.00 3.52 -2.00 317.73 0.00e+00 4.362619e-04 1.266306e-04 1.677604e-04 -6.000000e+00 4.735834e-04 284.03 -2.00 20.00 -2.00 317.00 0.00e+00 2.598 0.000 302.00 328.00 3 3.9475e+00 2.0140e-03 3.0895e-02 -6.0000e+00 2.6223e-02 3.8817e-02 2.2705e-03 1.6846e-02 -6.0000e+00 2.8376e-02 -5.0554e-03 1.4184e-03 8.3175e-03 -6.0000e+00 1.6941e-02 -4.1676e-03 7.1749e-04 2.3724e-03 -6.0000e+00 7.2446e-03 5.0824e-04 -3.6528e-04 4.4567e-05 2.8714e-05 -6.0000e+00 5.2489e-04 -7.1483e-03 -4.5044e-06 11 8 0 10 0 0 99.46 21.03 0.06 -0.00715 -0.00989 42 10 1 5 0 1146.190 25.68 20.00 21.03 18.00 37.7 984.73 -2213 -5611 -1863 -8579 -4164 -5571 -1027 -6871 4129 -1350 -5341 -4161 -1242 -2482 251 -130 -730 421 417 2002 1631 1723 2448 1818 610 1066 -554 -747 -1433 -2098 893 1125 1853 -324 -4572 -1900 -2189 -1170 -123 886 -1045 -857 -319 -1092 -388 334 -667 193 -688 -668 1164 1845 498 1244 82 1288 844 735 435 320 585 1210 1316 2141 959 -1367 -388 -1001 575 1549 510 183 -97 301 278 -926 -409 -2329 -665 -354 -1323 -1089 -1876 -2249 -273 -475 283 355 987 654 436 312 -815 -504 858 591 -9 1205 870 -354 -691 -1570 -1682 53 503 -1403 -326 -429 -302 279 998 360 264 50 -409 -351 422 -206 393 423 -20 -249 696 185 1022 534 -1250 374 997 129 491 -776 -464 -382 535 -55 -375 614 186 -368 -11 -737 -166 -462 -150 -678 -291 -402 -77 -611 361 -130 -539 -456 -153 -358 38 -22 -128 77 79 391 323 341 506 402 143 256 -133 -169 -316 -482 218 295 528 -94 -1309 -556 -680 -424 -49 403 -520 -444 -170 -586 -208 177 -353 100 -362 -364 636 1071 310 813 53 840 560 483 283 211 403 897 1001 1702 750 -1072 -294 -768 457 1362 459 169 -88 271 230 -737 -304 -1758 -542 -309 -1239 -1072 -1967 -2398 -307 -566 335 427 1166 763 472 327 -817 -514 939 688 -11 1559 1160 -460 -880 -1870 -2036 64 650 -1849 -449 -598 -448 424 1571 568 399 73 -562 -485 591 -292 591 637 -30 -369 1032 262 1433 722 -1665 513 1412 196 754 -1239 -737 -636 908 -96 -655 1082 327 -647 -18 -1258 SS 20231015T132826.2Z 8688.561415 117 1 49.29 2 66.04 127.37 75.28 122.93 0.00 1 0.00 1 0 17 4.835e-02 1.091e-02 7.689e-03 2.124e-03 3.061251e-01 1.122450e-03 3.678991e-03 -6.000000e+00 2.906503e-02 225.90 -2.00 3.52 -2.00 317.51 0.00e+00 1.515492e-03 1.761320e-04 1.336493e-04 -6.000000e+00 1.297050e-03 284.03 -2.00 20.00 -2.00 316.79 0.00e+00 2.444 0.000 302.00 328.00 3 4.8519e+00 2.9579e-03 2.8996e-02 -6.0000e+00 7.1845e-02 6.4416e-02 3.3281e-03 1.5759e-02 -6.0000e+00 7.7723e-02 -1.6374e-02 2.0372e-03 7.7831e-03 -6.0000e+00 4.6402e-02 2.0172e-03 1.0171e-03 2.5044e-03 -6.0000e+00 1.9859e-02 2.4306e-04 2.8981e-04 6.5769e-05 2.8274e-05 -6.0000e+00 1.4359e-03 -8.4383e-03 1.5060e-04 12 8 8 10 0 0 99.84 21.04 0.06 -0.00844 -0.00626 18 4 1 5 0 2738.100 25.68 20.00 21.04 18.49 37.5 986.72 -168 -2387 2693 -148 -52971 -1046 -3928 -1170 2725 -981 -6621 -447 -3906 3551 875 2800 1721 1977 980 3127 2649 4169 2336 3555 729 2092 -482 -963 -717 -3507 1523 1940 4710 632 -4838 -692 -1854 -411 -34 899 -1640 -370 -88 -1130 -7 473 4 258 76 -1213 2180 1090 408 967 1077 398 1530 -538 559 -80 474 1312 1651 2188 1805 -1948 -120 -1309 493 1259 847 109 126 259 -86 -1367 -191 -2438 -1622 -731 -1772 -1118 -2244 -2367 -322 -580 440 273 1172 650 -182 540 -1378 -809 978 372 53 1179 1359 -481 -272 -1380 -1839 -160 312 -1392 -556 175 -24 622 925 399 103 307 -799 -495 97 -111 330 729 69 -38 901 639 931 601 -1446 738 809 324 391 -606 -825 -275 694 -193 -379 635 376 -410 -257 -1034 -15 -230 250 -13 -7223 -90 -355 -114 279 -108 -770 -53 -558 543 157 512 332 402 208 676 580 894 533 844 185 538 -125 -236 -169 -878 395 537 1383 193 -1466 -210 -638 -156 -15 432 -864 -201 -49 -638 -4 264 2 141 41 -688 1228 661 263 653 741 271 1040 -369 390 -54 337 1001 1296 1796 1443 -1566 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