File name: Pandora64s1_NewHavenCT_20240804_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240805T050940.2Z 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_20240804_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: 20240804 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 20240804T122325.6Z 8982.516268 124 1 48.16 2 62.90 90.69 62.77 86.07 0.00 1 0.00 1 0 17 1.916e-02 7.613e-03 3.120e-03 9.422e-04 3.047083e-01 5.089819e-04 3.632436e-03 -6.000000e+00 1.175725e-02 232.21 -2.00 3.52 -2.00 317.37 0.00e+00 3.198999e-04 7.649211e-05 1.696038e-04 -6.000000e+00 5.261998e-04 289.80 -2.00 20.00 -2.00 316.52 0.00e+00 2.183 0.000 302.00 328.00 3 3.5468e+00 1.3552e-03 2.7245e-02 -6.0000e+00 2.9445e-02 1.9161e-02 1.5184e-03 1.6057e-02 -6.0000e+00 3.1711e-02 -2.6425e-03 9.0644e-04 7.7482e-03 -6.0000e+00 1.8901e-02 -3.3675e-03 4.4174e-04 2.1074e-03 -6.0000e+00 7.9995e-03 1.1671e-03 2.4607e-04 2.9194e-05 2.5709e-05 -6.0000e+00 5.7065e-04 9.6843e-03 -8.8828e-06 11 9 0 11 8 0 99.95 21.71 0.09 0.00968 0.01153 91 22 1 5 0 529.100 26.11 20.00 21.71 31.12 40.4 1053.18 -1473 1807 -1117 -3205 -17860 1346 -2364 1010 -60 487 -4508 302 -2000 557 329 372 -1196 1773 -412 2676 663 848 1561 2004 131 1227 470 -556 -742 -372 1464 59 2182 -426 -4377 -2282 -1853 -1445 -67 -177 -854 -991 -183 -1525 -223 -315 -854 -453 -504 -761 1328 1055 1033 1138 211 733 1028 405 325 407 777 1317 1674 2050 377 -1127 7 -1359 1346 1404 539 296 -250 370 -102 -910 -471 -2079 -353 -375 -1212 -991 -2031 -1611 -202 -394 164 218 1011 503 548 211 -782 184 867 290 -57 1096 402 -392 -783 -1558 -1734 480 -68 -1267 -391 -577 -146 445 918 245 170 108 -270 -66 430 -192 528 503 -260 -242 540 33 1053 763 -785 834 806 339 372 -555 -657 -188 529 -197 -391 409 38 -386 118 -746 -150 188 -119 -317 -1916 122 -244 113 -7 61 -599 39 -304 95 64 77 -264 402 -99 648 164 211 407 510 35 336 126 -152 -198 -103 401 18 689 -135 -1374 -747 -685 -586 -32 -89 -458 -554 -104 -878 -128 -179 -479 -251 -279 -439 809 684 668 772 147 523 738 289 229 292 586 1009 1370 1739 311 -880 6 -1054 1134 1240 507 284 -235 329 -88 -716 -368 -1658 -288 -345 -1181 -1002 -2178 -1741 -231 -478 197 264 1195 588 622 222 -788 190 965 341 -71 1403 524 -516 -970 -1900 -2094 580 -89 -1654 -535 -827 -213 656 1394 368 254 156 -368 -87 582 -275 769 757 -393 -358 770 46 1423 1031 -1051 1107 1149 492 565 -870 -1024 -308 875 -337 -661 697 66 -655 193 -1242 SS 20240804T123706.0Z 8982.525764 133 1 48.29 2 60.33 92.99 60.29 88.22 0.00 1 0.00 1 0 17 1.239e-02 7.132e-03 2.262e-03 7.163e-04 2.805773e-01 3.870773e-04 3.344592e-03 -6.000000e+00 7.602728e-03 232.21 -2.00 3.52 -2.00 317.27 0.00e+00 3.011631e-04 5.645691e-05 1.258337e-04 -6.000000e+00 3.402411e-04 289.80 -2.00 20.00 -2.00 316.42 0.00e+00 2.011 0.000 302.00 328.00 3 3.1182e+00 1.0289e-03 2.5094e-02 -6.0000e+00 1.9040e-02 1.1751e-02 1.1508e-03 1.4770e-02 -6.0000e+00 2.0506e-02 3.3455e-03 6.8448e-04 7.1414e-03 -6.0000e+00 1.2222e-02 -6.7590e-03 3.3203e-04 1.9560e-03 -6.0000e+00 5.1731e-03 2.2051e-03 3.5009e-04 2.2392e-05 2.3744e-05 -6.0000e+00 3.6898e-04 9.4976e-03 -1.4606e-07 11 9 0 11 8 0 99.97 21.72 0.18 0.00950 0.01213 282 68 1 5 0 171.200 26.11 20.01 21.72 31.55 40.4 1055.63 696 -557 206 -3545 -8523 -1833 521 994 1682 500 -2592 -974 957 -165 771 -40 -909 999 -93 2002 393 -170 874 1118 275 923 -169 -866 -1203 -152 1603 192 2115 -655 -4111 -1933 -1590 -1148 82 -89 -1278 -876 -425 -1156 -296 -257 -922 -168 -1020 -400 1239 806 941 1204 203 769 853 495 211 524 729 1206 1351 2151 324 -1139 -152 -1184 1118 1457 228 377 -122 605 5 -578 -650 -1872 -188 -403 -1137 -811 -1977 -1570 -288 -366 258 223 937 345 557 340 -524 320 981 211 37 1061 363 -638 -500 -1550 -1591 350 -14 -1256 -288 -814 -114 308 711 109 150 -12 -234 8 571 -185 651 263 -213 -236 560 -66 1127 615 -828 771 885 291 393 -583 -572 -215 510 -172 -343 436 68 -424 149 -771 72 -61 22 -392 -926 -191 58 123 205 63 -339 -138 152 -30 157 -9 -210 239 -23 509 102 -44 238 320 83 260 -51 -244 -329 -43 477 62 665 -206 -1277 -625 -580 -491 38 -47 -718 -509 -252 -689 -175 -151 -534 -95 -581 -235 768 532 611 817 142 547 612 352 149 375 549 976 1094 1791 261 -926 -119 -948 914 1313 220 369 -117 549 4 -469 -495 -1443 -157 -354 -1115 -814 -2108 -1771 -327 -438 320 279 1145 399 629 355 -521 324 1071 241 47 1364 475 -809 -626 -1831 -1864 432 -18 -1653 -396 -1176 -165 469 1115 168 220 -17 -315 10 764 -262 930 391 -318 -344 829 -94 1512 834 -1111 1013 1243 434 581 -889 -901 -337 845 -295 -575 738 119 -723 246 -1243 SS 20240804T135251.2Z 8982.578370 186 1 48.13 2 46.36 107.46 46.59 101.50 0.00 1 0.00 1 0 25 3.720e-02 1.248e-02 8.695e-03 3.707e-03 2.116152e-01 1.999454e-03 2.535981e-03 -6.000000e+00 2.285154e-02 232.21 -2.00 3.52 -2.00 316.71 0.00e+00 1.027017e-03 2.514576e-04 1.511343e-04 -6.000000e+00 1.021806e-03 289.80 -2.00 20.00 -2.00 315.87 0.00e+00 1.447 0.000 302.00 328.00 3 6.4806e+00 5.2731e-03 1.8370e-02 -6.0000e+00 5.7231e-02 4.3382e-02 5.8813e-03 1.1109e-02 -6.0000e+00 6.1612e-02 2.4092e-03 3.4021e-03 5.3756e-03 -6.0000e+00 3.6725e-02 -3.8736e-03 1.5824e-03 1.5886e-03 -6.0000e+00 1.5561e-02 1.4675e-04 1.4421e-03 1.1651e-04 1.8513e-05 -6.0000e+00 1.1081e-03 7.9024e-03 2.1186e-04 12 8 8 10 0 0 100.00 21.72 -0.13 0.00790 0.01874 45 11 1 5 0 1069.320 26.11 20.01 21.72 31.17 40.5 1053.66 -3084 3884 -34 5230 -37494 2302 -1050 3292 -156 5910 -7603 4376 -2548 -235 -586 3985 955 5205 546 5219 346 3558 2273 2122 432 2512 -1003 -430 -943 -2396 -85 2582 3188 -38 -3566 -393 -1868 -447 -67 -597 -672 -1224 424 -2414 -795 201 -726 -630 -718 -2503 2276 381 1567 729 1190 885 1188 -886 1329 -676 1644 1409 2203 2852 1082 -1731 -397 -1558 1135 865 1568 -29 576 -125 -107 -1531 -40 -4013 -1116 -817 -986 -1272 -2213 -1850 -34 -462 407 -49 2082 478 1 11 -1965 -1431 107 529 -448 1415 696 -779 -615 -1784 -1917 458 -274 -1445 291 75 -24 1295 1157 388 223 514 -862 -812 -6 -98 -9 591 115 512 347 628 980 507 -1627 792 789 653 239 -962 -958 -103 1048 -79 146 524 319 -612 -779 -879 -532 647 -6 762 -7725 342 -163 541 -28 1029 -1490 820 -574 -58 -161 1107 280 1522 171 1617 112 1113 748 729 155 900 -359 -142 -300 -785 -29 895 1173 -14 -1283 -145 -784 -216 -36 -357 -425 -804 280 -1630 -529 130 -461 -391 -437 -1587 1462 262 1114 543 893 680 915 -688 1000 -527 1318 1214 1890 2498 911 -1453 -315 -1256 985 787 1492 -28 550 -114 -95 -1242 -30 -3067 -903 -732 -921 -1293 -2373 -2095 -41 -558 506 -62 2534 584 1 11 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