File name: Pandora206s1_BuffaloNY_20220527_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T033337.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20220527_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20220527 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: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20220527T134223.5Z 8182.571105 145 1 28.00 2 48.47 99.26 36.91 145.06 0.00 1 0.00 1 0 25 4.814e-02 1.737e-02 4.600e-02 1.437e-02 2.368611e-01 7.179936e-03 2.741087e-03 -6.000000e+00 2.730004e-02 231.67 -2.00 3.55 -2.00 317.30 0.00e+00 5.096456e-05 1.019536e-03 9.595434e-05 -6.000000e+00 1.189992e-03 282.56 -2.00 20.00 -2.00 316.55 0.00e+00 1.505 0.000 302.00 328.00 3 8.1623e+00 1.9119e-02 1.9328e-02 -6.0000e+00 6.8507e-02 9.1383e-02 2.1530e-02 1.2234e-02 -6.0000e+00 7.4309e-02 3.3117e-02 1.2899e-02 5.9299e-03 -6.0000e+00 4.4112e-02 -1.9441e-02 6.3066e-03 1.6344e-03 -6.0000e+00 1.8580e-02 2.4624e-05 3.7496e-04 3.9876e-04 1.6294e-05 -6.0000e+00 1.2288e-03 -1.4231e-03 1.8993e-04 12 8 8 10 0 0 -253.88 18.59 3.02 -0.00142 0.00139 7 7 2 8 0 4000.000 15.00 18.59 23.31 21.98 21.88 9.3 1002.58 16932 -1355 11384 -16588 5319 3332 7948 -1479 -9309 32453 -5912 5846 -12055 1989 -4073 4772 1203 8698 4104 -2651 10091 -4396 6084 -987 230 -10041 3358 -2157 -9387 -5351 267 3178 -2425 1436 4430 2591 -3910 -1936 5422 2158 4233 992 1781 -1323 -676 -796 -4811 -314 208 -5607 4025 1446 -1359 -3295 512 -1782 2084 105 -817 -2178 -840 2707 2349 1331 725 -907 -6015 188 270 1323 2646 3034 486 1232 2911 -2112 101 -4573 -2100 -4101 -1727 -1320 -811 -924 66 111 3239 1701 1161 696 492 456 -1257 -1036 53 -3340 1865 1325 954 1823 168 -342 -1776 -2777 -280 -884 -973 891 1262 -3326 2036 412 392 -1100 -2704 -1379 -2556 14 -387 596 215 1230 1817 1408 720 -1937 -102 575 223 -537 1100 -30 306 175 471 1138 -820 710 558 669 -781 -1132 -1075 1601 -167 1266 -2259 522 322 787 -181 -1376 3329 -863 771 -2146 350 -838 1018 274 1899 974 -697 2376 -1174 1504 -278 67 -3367 984 -618 -2651 -1434 72 886 -778 454 1278 748 -1294 -729 2288 1102 2290 574 1052 -809 -407 -479 -2935 -177 114 -3249 2250 885 -899 -2343 360 -1297 1488 75 -580 -1558 -613 2052 1936 1177 632 -726 -4705 139 206 1142 2453 2905 474 1144 2456 -1723 72 -3263 -1541 -3474 -1543 -1293 -836 -993 75 136 4033 2144 1519 871 564 476 -1253 -997 54 -3744 2198 1742 1318 2409 211 -396 -2033 -3269 -351 -1167 -1343 1260 1858 -5281 3213 660 617 -1621 -3683 -1800 -3393 19 -550 894 328 1824 2612 1992 968 -2545 -124 705 294 -757 1597 -45 462 267 761 1910 -1432 1251 986 1139 -1302 -1825 -1751 SS 20220527T144428.6Z 8182.614220 166 1 28.01 2 37.57 113.29 32.41 170.37 0.00 1 0.00 1 0 17 2.434e-02 1.397e-02 1.786e-02 8.048e-03 1.979058e-01 4.032814e-03 2.315582e-03 -6.000000e+00 1.379675e-02 231.68 -2.00 3.55 -2.00 316.48 0.00e+00 7.381994e-04 4.698753e-04 6.107598e-05 -6.000000e+00 6.014570e-04 282.56 -2.00 20.00 -2.00 315.76 0.00e+00 1.261 0.000 302.00 328.00 3 7.7763e+00 1.0613e-02 1.6176e-02 -6.0000e+00 3.4622e-02 7.2381e-02 1.1882e-02 1.0239e-02 -6.0000e+00 3.7558e-02 1.0882e-02 6.8841e-03 4.9573e-03 -6.0000e+00 2.2295e-02 -6.1537e-03 3.2043e-03 1.4438e-03 -6.0000e+00 9.3889e-03 5.0139e-05 7.8123e-04 2.2101e-04 1.4554e-05 -6.0000e+00 6.2129e-04 -2.1187e-03 8.4492e-05 12 8 8 10 0 0 81.29 18.61 1.60 -0.00212 0.00375 7 7 2 8 0 4000.000 15.00 18.61 23.65 21.98 21.88 9.4 1003.94 -8629 2157 10551 -2729 -119 1110 3062 -13434 -4036 3509 -4872 -506 -5195 1449 769 -1752 4259 1510 450 859 5173 1482 1909 2199 1868 -3756 570 -944 -3420 -1028 -976 356 -1606 2751 -1360 -2691 -3650 -1625 598 -817 2446 868 1795 -434 1318 138 -2831 -912 -1738 -1267 1015 977 1001 -712 507 -2001 1377 1185 -349 -29 -964 1512 1604 2689 527 -1372 -2623 -1809 -106 2251 394 1726 1148 798 2073 -1213 -1779 -2173 -1716 -2532 -1443 -1589 -1117 -473 283 127 2034 1315 1666 696 781 -340 -3042 -2579 -452 -2893 1780 1401 1508 -43 -6 -2213 -2245 -3052 329 -1701 -427 1160 47 -1277 1217 1365 713 -639 -1445 -1135 -2233 -822 -166 1307 1085 1279 328 1038 1417 -17 -782 2020 6 -968 578 396 -45 254 432 634 -514 1340 -107 446 -423 -1749 -1297 -1705 411 1870 -505 -18 165 475 -2734 -829 695 -1006 -101 -1219 358 216 -546 1271 476 148 290 1694 492 646 780 689 -1514 218 -350 -1190 -344 -345 131 -649 1079 -503 -993 -1509 -762 318 -512 1590 591 1243 -297 911 96 -1969 -600 -1116 -804 666 680 729 -553 397 -1623 1098 935 -274 -23 -786 1293 1429 2500 486 -1197 -2143 -1419 -88 2071 387 1732 1150 770 1889 -1017 -1398 -1618 -1339 -2170 -1359 -1645 -1171 -513 328 153 2520 1689 2131 883 904 -373 -3110 -2537 -463 -3228 2094 1830 1983 -57 -8 -2584 -2576 -3615 412 -2270 -588 1585 68 -1974 1912 2129 1058 -913 -1891 -1441 -2792 -1064 -230 1912 1616 1871 473 1407 1869 -22 -946 2408 8 -1294 793 553 -64 372 675 1000 -836 2196 -178 713 -683 -2762 -1999 SS 20220527T154617.9Z 8182.657152 193 1 28.00 2 28.11 133.53 33.01 198.12 0.00 1 0.00 1 0 17 1.012e-02 7.565e-03 5.060e-03 3.119e-03 1.772541e-01 1.579382e-03 2.111130e-03 -6.000000e+00 5.733866e-03 231.68 -2.00 3.55 -2.00 315.39 0.00e+00 3.187245e-04 1.453880e-04 2.599134e-05 -6.000000e+00 2.499880e-04 282.57 -2.00 20.00 -2.00 314.75 0.00e+00 1.133 0.000 302.00 328.00 3 6.6481e+00 4.1042e-03 1.4538e-02 -6.0000e+00 1.4389e-02 6.4869e-02 4.5673e-03 9.1896e-03 -6.0000e+00 1.5610e-02 -4.3813e-03 2.6074e-03 4.4575e-03 -6.0000e+00 9.2669e-03 -6.6076e-04 1.1604e-03 1.2317e-03 -6.0000e+00 3.9012e-03 1.8500e-04 1.8366e-04 8.4333e-05 1.4026e-05 -6.0000e+00 2.5831e-04 -9.9579e-04 5.1843e-05 11 8 0 10 0 0 99.85 18.60 0.63 -0.00100 0.00038 7 7 4 8 0 4000.000 14.99 18.60 25.09 21.98 21.88 9.5 1015.21 -1500 740 -1013 -2502 -2704 -347 -1500 1173 -518 1509 -2456 -436 -1620 -570 1821 432 1829 -62 -21 693 3411 -825 1662 119 583 -247 897 -4 -1695 189 623 1423 1466 788 -2659 -1177 -2596 -1328 63 320 -269 -273 -341 -1049 -29 -1098 -494 114 -1467 -505 434 587 345 -58 594 721 696 724 164 125 64 1122 1319 2107 191 -164 -1098 -1421 106 235 1271 428 815 799 493 -1123 -630 -1732 -1112 -1450 -962 -911 -2000 -1738 -51 -192 540 846 653 859 634 43 -991 -569 -230 -248 544 1271 603 223 247 -1007 -1346 -432 -601 -1210 -343 -402 105 -116 894 154 279 -501 -340 -626 -628 -344 439 535 240 633 494 908 983 -406 -232 461 164 -12 122 -106 225 -189 14 219 179 241 316 -201 -59 -625 -930 -427 220 -309 -707 -681 -82 -381 322 -155 460 -744 -134 -541 -210 710 184 777 -28 -9 322 1559 -384 770 59 288 -127 451 -2 -779 83 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