File name: Pandora64s1_NewHavenCT_20240415_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240416T045705.7Z 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_20240415_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: 20240415 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 20240415T113706.3Z 8871.484100 137 1 22.36 2 74.87 89.84 112.12 9.94 0.00 1 0.00 1 0 17 2.987e-01 1.425e-02 1.315e-01 5.716e-03 6.245259e-01 3.154070e-03 7.383066e-03 -6.000000e+00 1.810668e-01 228.62 -2.00 3.52 -2.00 320.40 0.00e+00 1.769764e-03 1.175497e-03 2.477806e-03 -6.000000e+00 7.880618e-03 280.20 -2.00 20.00 -2.00 319.84 0.00e+00 3.757 0.001 302.00 328.00 3 4.0149e+00 9.5112e-03 5.1221e-02 -6.0000e+00 4.5102e-01 1.0104e-01 1.1842e-02 3.5590e-02 -6.0000e+00 4.8763e-01 -1.3287e-01 1.0731e-02 1.8011e-02 -6.0000e+00 2.8982e-01 4.7115e-02 5.3818e-03 5.1618e-03 -6.0000e+00 1.2263e-01 1.0446e-04 -8.1236e-04 1.6928e-04 8.1515e-05 -6.0000e+00 8.8845e-03 -1.7836e-03 -7.7523e-05 12 9 9 12 1 1 83.72 21.51 -0.03 -0.00178 -0.00789 9 5 1 5 0 2235.250 26.00 19.99 21.51 18.78 38.3 1006.57 -72704 -102966 -128665 -89233 -59916 -74710 -151077 -79460 -88047 -44405 -68291 -26960 -82227 -88404 -26112 -24350 -33594 -4854 -42838 1851 -14270 23007 15365 42653 -16638 -1349 -28158 -19899 15347 -37352 -11213 14274 4438 1981 -5771 17950 -13242 -4008 2625 -427 5586 10840 2938 -5270 1626 5027 6547 -316 -1920 -11230 6810 10964 9269 3387 868 2194 1146 -1712 5654 1092 543 3542 5119 5125 8225 -1184 143 2982 2026 892 2697 2762 1142 1030 -2035 -2081 1678 -2996 -1941 -1314 -1684 -5647 -1042 -1447 110 -1408 900 52 1547 290 -1146 -556 -2236 -2209 -58 473 -979 1207 1463 -611 -852 -2138 -2946 770 -498 -1890 -882 777 -3 908 1145 411 -96 377 -475 -943 471 -607 1058 790 -579 289 1269 1380 1544 543 -2290 532 1049 108 165 -995 -1048 -238 820 369 -243 608 485 -386 -327 -1151 -810 -1620 -2742 -1274 -605 -911 -4111 -1273 -1616 -603 -1261 -394 -2480 -3339 -685 -726 -1211 -145 -1870 58 -529 596 463 1063 -752 -58 -1491 -943 553 -2417 -663 747 291 136 -411 1073 -1234 -408 287 -56 752 1469 450 -886 260 793 1039 -56 -363 -2523 1430 2428 2154 901 247 640 343 -520 1560 318 169 1185 1884 2063 3234 -498 60 1285 949 475 1499 1564 634 537 -993 -976 739 -1380 -1017 -798 -1119 -4391 -827 -1171 94 -1288 836 49 1419 255 -955 -459 -1849 -1869 -54 484 -1151 1488 1866 -769 -1000 -2406 -3194 844 -590 -2270 -1121 1042 -5 1370 1858 685 -158 591 -741 -1447 732 -957 1729 1313 -953 454 1992 2068 2236 769 -3298 809 1710 187 310 -1918 -2129 -492 1785 804 -541 1357 1061 -835 -673 -2357 SS 20240415T115114.8Z 8871.493921 144 1 48.39 2 72.21 92.19 111.63 13.16 0.00 1 0.00 1 0 17 2.185e-01 1.596e-02 7.014e-02 3.447e-03 5.292873e-01 1.884894e-03 6.210690e-03 -6.000000e+00 1.328764e-01 228.63 -2.00 3.52 -2.00 320.11 0.00e+00 6.137065e-03 6.318634e-04 1.531664e-03 -6.000000e+00 5.768157e-03 280.20 -2.00 20.00 -2.00 319.53 0.00e+00 3.228 0.001 302.00 328.00 3 4.1171e+00 5.5207e-03 4.2793e-02 -6.0000e+00 3.3101e-01 7.0440e-02 6.6760e-03 2.7717e-02 -6.0000e+00 3.5750e-01 -7.8498e-02 5.6742e-03 1.6981e-02 -6.0000e+00 2.1249e-01 3.0756e-02 2.8894e-03 9.1105e-03 -6.0000e+00 9.0178e-02 1.7107e-04 2.0153e-03 1.0553e-04 1.0567e-04 -6.0000e+00 6.4849e-03 -5.0081e-03 6.3021e-04 12 8 8 10 0 0 99.99 21.56 0.13 -0.00501 0.01014 105 25 1 5 0 460.790 26.00 20.00 21.56 20.16 38.6 1014.20 -75773 -22654 -38587 -17662 -204048 23151 -50603 -58452 -47015 -11771 -27681 -22462 -23113 -11602 -1175 8615 6629 23252 8607 12306 20398 26200 21151 4741 1112 -279 6802 -6473 5641 -18742 8889 9559 9219 9808 6777 -1735 5828 2120 5990 2722 5869 -2133 6752 -857 5033 4327 8429 5097 4376 -2173 9301 515 8003 2477 3272 -148 1247 -1134 2469 858 1158 863 3750 3618 4347 -376 1726 -525 1955 586 169 998 -797 143 -720 -1216 125 -3004 -1826 44 -1630 -3447 -1433 -2949 -1679 -661 -362 210 775 1182 -237 534 -2112 -777 59 942 -885 1424 554 -34 -223 -1031 -2678 -80 -270 -1556 -887 123 -586 625 323 96 -230 153 -379 -317 257 -23 806 525 -15 461 1233 561 1633 711 -977 838 1107 481 727 -607 -400 -581 581 -81 -568 282 664 -746 -21 -1197 -1528 -324 -681 -237 -14109 195 -950 -1310 -1027 -191 -550 -497 -598 -333 -37 285 245 800 363 525 812 982 875 244 62 -16 371 -393 309 -1449 611 739 750 810 592 -161 564 251 815 441 1000 -417 1269 -177 1003 889 1688 1088 973 -513 2163 143 2207 773 1043 -50 423 -389 804 288 412 341 1594 1673 1998 -174 785 -252 1021 327 101 601 -474 80 -393 -607 59 -1517 -1034 26 -1134 -2727 -1183 -2618 -1488 -612 -348 203 736 1125 -213 449 -1768 -675 57 962 -1039 1815 738 -44 -270 -1149 -2908 -89 -321 -1953 -1179 162 -851 980 543 163 -383 240 -566 -462 382 -36 1314 877 -25 733 1892 826 2297 1030 -1414 1209 1761 837 1280 -1129 -776 -1194 1255 -171 -1235 616 1419 -1621 -44 -2393 SS 20240415T115601.6Z 8871.497241 147 1 48.39 2 71.31 92.99 111.43 14.24 0.00 1 0.00 1 0 25 7.705e-02 7.296e-03 7.975e-03 5.332e-04 5.105968e-01 2.878181e-04 5.961548e-03 -6.000000e+00 4.671550e-02 228.63 -2.00 3.52 -2.00 319.42 0.00e+00 1.003051e-03 7.915377e-05 4.564742e-04 -6.000000e+00 2.032967e-03 280.20 -2.00 20.00 -2.00 318.81 0.00e+00 3.082 0.000 302.00 328.00 3 1.2373e+00 8.0818e-04 4.1018e-02 -6.0000e+00 1.1636e-01 -3.8396e-03 9.4739e-04 2.6726e-02 -6.0000e+00 1.2580e-01 -1.1849e-02 7.5796e-04 1.3434e-02 -6.0000e+00 7.4766e-02 -3.1971e-03 3.9615e-04 4.0107e-03 -6.0000e+00 3.1646e-02 3.7436e-03 -5.7704e-04 1.6054e-05 4.7126e-05 -6.0000e+00 2.2916e-03 -3.1289e-03 -5.2467e-05 11 8 0 10 0 0 99.01 21.56 0.18 -0.00313 -0.00747 575 138 1 5 0 84.140 26.00 20.00 21.56 20.64 38.6 1016.48 -23598 -27285 -16359 -33200 -44972 -29737 -19817 -24085 -15842 -18340 -16811 -16143 -8818 -8542 -1642 -3551 -1450 -2305 -261 -256 91 -1082 -337 -887 -78 -922 -1523 -4112 -3310 -3064 790 311 2153 29 -4718 -2602 -1957 -1609 -289 365 -864 -753 -34 -701 -359 454 -666 418 -520 -41 1244 -811 729 1689 297 838 1073 564 -135 339 403 1621 1684 2947 1124 -932 -37 -985 884 1741 576 822 -3 452 -268 -1078 -1114 -2099 -855 -356 -1301 -648 -1910 -1904 -383 -362 404 417 1247 738 608 462 -631 -103 740 303 -163 1093 746 -473 -427 -1752 -1974 138 426 -1402 -359 -750 -251 269 848 302 204 62 -230 -264 490 -195 694 460 -148 -378 669 74 904 604 -1163 275 922 265 392 -606 -688 -349 448 -111 -504 455 366 -317 216 -630 -412 -543 -304 -683 -987 -583 -389 -562 -381 -483 -459 -464 -289 -340 -73 -183 -80 -140 -16 -17 6 -75 -25 -71 -7 -82 -135 -361 -290 -292 84 34 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