File name: Pandora206s1_BuffaloNY_20231109_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20231110T055543.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231109_L1_smca1c1d20220512p1-8.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: 20231109 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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 20231109T153044.0Z 8713.646343 229 1 24.00 2 63.25 156.27 46.41 205.91 0.00 1 0.00 1 0 25 1.146e-01 2.664e-02 1.105e-01 1.848e-02 2.740230e-01 8.970913e-03 3.174004e-03 -6.000000e+00 6.311211e-02 223.25 -2.00 3.55 -2.00 318.08 0.00e+00 1.922244e-03 1.608320e-03 3.466005e-04 -6.000000e+00 2.786071e-03 278.50 -2.00 20.00 -2.00 317.42 0.00e+00 2.209 0.000 302.00 328.00 3 7.4245e+00 2.3892e-02 2.5543e-02 -6.0000e+00 1.5551e-01 1.0550e-01 2.7216e-02 1.4187e-02 -6.0000e+00 1.6974e-01 5.7646e-02 1.7972e-02 6.8003e-03 -6.0000e+00 1.0119e-01 -4.1666e-02 9.4030e-03 2.6295e-03 -6.0000e+00 4.3335e-02 2.4710e-05 -2.6408e-04 5.1722e-04 2.3889e-05 -6.0000e+00 2.9180e-03 7.5949e-03 -1.1247e-04 12 8 8 10 0 0 24.45 17.87 3.46 0.00759 0.00561 6 6 2 8 0 4000.000 15.00 17.87 13.21 21.38 21.27 19.0 934.54 40564 59731 42008 -10540 23190 57823 -19291 17006 2843 -9197 48725 23148 -12243 19777 9133 15390 27735 2367 1707 1976 -1466 -2553 -8505 9551 -3545 -2418 4289 -1155 2091 3797 3551 -1162 10905 -5306 4926 -9872 -2814 1248 5878 -9185 7601 -1723 3223 -5256 -1446 22 3133 -15040 -6916 321 -2122 885 2026 627 1503 -2143 -320 1979 -1734 -6570 795 5221 3911 1549 1541 -969 -284 -3480 -1427 -3221 5124 156 2536 1854 4263 -3567 -3042 -1212 -7265 -335 -975 414 -2934 2150 512 3526 2441 -679 3502 2452 3383 1471 -1540 -5419 -122 -2843 1750 -266 1817 679 728 321 712 -1237 -254 -2358 -2895 1597 -728 1703 536 1007 -2785 -2076 -2458 76 -3642 -830 570 693 -756 -218 2874 1017 1912 222 -619 -1645 940 -3714 1385 -300 -433 -2270 577 1000 92 5705 1949 2747 337 -6217 -1174 1827 2475 2170 -845 1198 2014 -1491 1052 227 -855 2575 1613 -1352 1912 1104 1968 3398 378 288 346 -272 -470 -1696 1744 -746 -524 909 -244 396 702 712 -264 2417 -1450 1118 -2508 -733 360 1952 -4057 3214 -806 1489 -2679 -707 11 1500 -8165 -3518 152 -1094 476 1136 378 926 -1387 -207 1247 -1106 -4360 506 3427 2840 1200 1235 -727 -197 -2418 -1027 -2701 4336 140 2286 1615 3362 -2714 -2077 -796 -5136 -252 -828 384 -3001 2171 564 3910 2874 -851 4225 2868 3716 1502 -1479 -5210 -118 -3141 2054 -344 2444 900 933 379 778 -1424 -317 -3158 -4068 2253 -1066 2601 877 1659 -4574 -3145 -3526 100 -4935 -1141 830 1075 -1211 -341 4254 1463 2575 300 -798 -2154 1294 -5536 2069 -468 -687 -3804 1002 1816 167 10344 3574 4992 604 -11456 -2004 SS 20231109T175709.0Z 8713.748021 289 1 24.01 2 61.41 195.87 65.51 243.30 0.00 1 0.00 1 0 17 1.043e-01 2.786e-02 8.754e-02 1.937e-02 2.657769e-01 9.413036e-03 3.318549e-03 -6.000000e+00 5.735960e-02 223.24 -2.00 3.55 -2.00 317.87 0.00e+00 4.181501e-03 1.575389e-03 5.668591e-04 -6.000000e+00 2.534757e-03 278.49 -2.00 20.00 -2.00 317.22 0.00e+00 2.080 0.000 302.00 328.00 3 7.5969e+00 2.4947e-02 2.4721e-02 -6.0000e+00 1.4133e-01 1.3984e-01 2.8326e-02 1.5506e-02 -6.0000e+00 1.5431e-01 -4.4482e-03 1.8022e-02 6.9279e-03 -6.0000e+00 9.1994e-02 -6.8930e-03 9.3167e-03 4.0150e-03 -6.0000e+00 3.9360e-02 2.3628e-05 -1.0614e-03 5.4081e-04 3.4964e-05 -6.0000e+00 2.6561e-03 1.2140e-02 -2.1546e-04 12 8 8 10 0 0 39.56 17.88 2.99 0.01214 0.00416 6 6 2 8 0 4000.000 15.00 17.88 14.65 21.38 21.27 19.1 943.80 -2447 51148 42177 20019 12137 18767 -4221 39498 -19719 11276 15823 34113 8566 -125 26260 6120 39308 9095 -3085 10177 13156 1639 8897 8504 -24860 4867 926 9889 3418 15834 6730 12187 3305 -26125 673 -5276 -2999 -1300 1408 -10356 3202 -6784 9105 -5137 1317 1964 -1381 -19767 -1992 -1377 4529 2360 966 2479 3288 -189 -606 5583 -3174 5016 2134 6770 -557 -252 -1389 4330 67 -5177 -1318 -2651 2581 -1665 3059 -982 731 -2798 -2922 1845 -2596 -3100 3528 1365 -2141 1786 -1374 4570 1899 -79 412 1372 -44 330 -1916 -178 -471 679 -252 -1701 3120 -202 4638 -243 -1159 -2013 585 -2054 534 1561 -1322 1810 1618 3861 -2901 -274 -1991 1445 -4394 -723 -1936 1205 -2995 -2456 913 -177 2511 1060 -1429 -1467 1879 -3717 1151 -137 -685 -1776 1166 -542 1997 1016 2204 1252 -1082 -368 -798 -221 3093 2895 1562 917 1253 -370 2438 -2344 1065 1385 2535 950 -17 3324 1030 5125 1619 -647 2000 2552 348 1771 1773 -7197 1116 222 2043 702 2872 1450 2686 872 -9642 174 -1392 -848 -414 522 -5055 1485 -3490 4284 -2828 680 1014 -726 -12201 -1010 -692 2273 1298 566 1508 2036 -122 -399 3422 -2071 2998 1359 4447 -430 -208 -1159 3112 46 -3678 -952 -2216 2240 -1567 2732 -875 594 -2171 -2049 1168 -1804 -2464 2947 1245 -2154 1792 -1525 5126 2297 -100 524 1657 -49 336 -1883 -166 -467 713 -298 -2274 4218 -275 5620 -283 -1314 -2382 714 -2702 715 2169 -1981 2806 2658 6266 -4827 -412 -2778 1885 -6072 -1006 -2831 1824 -4807 -3847 1351 -261 3402 1390 -1815 -1875 2503 -5591 1737 -216 -1095 -2874 1952 -969 3549 1867 4027 2232 -1900 -639 -1353 SS 20231109T193739.8Z 8713.817821 325 1 46.92 2 70.15 220.48 82.87 261.44 0.00 1 0.00 1 0 17 2.421e-02 5.087e-03 2.346e-03 3.357e-04 3.474497e-01 1.634552e-04 4.185552e-03 -6.000000e+00 1.332682e-02 223.24 -2.00 3.55 -2.00 318.75 0.00e+00 6.966620e-04 3.532355e-05 1.198512e-04 -6.000000e+00 5.885998e-04 278.48 -2.00 20.00 -2.00 318.09 0.00e+00 2.913 0.000 302.00 328.00 3 4.1047e-01 4.4410e-04 3.3435e-02 -6.0000e+00 3.2836e-02 -1.5355e-02 5.1031e-04 1.7887e-02 -6.0000e+00 3.5847e-02 -5.0577e-03 3.5835e-04 8.9046e-03 -6.0000e+00 2.1370e-02 -2.7858e-03 1.8959e-04 2.6574e-03 -6.0000e+00 9.1466e-03 1.3921e-02 -3.0267e-05 9.3597e-06 2.7939e-05 -6.0000e+00 6.1660e-04 1.2448e-02 -6.5428e-05 10 0 0 10 0 0 67.30 17.88 0.27 0.01245 0.01222 1599 494 2 8 0 28.660 15.00 17.88 15.05 21.38 21.27 19.2 948.04 -6982 -4706 -6842 -7879 -10141 -9515 -9279 -8734 -5706 -4300 -7398 -6908 -4414 -2903 -73 -781 -964 -304 747 565 95 -511 445 17 -494 -429 -664 -567 -1784 -266 220 802 1215 -672 -3313 -3026 -2501 -1835 -903 -324 -585 -498 -340 -556 203 -33 -35 -264 -542 51 1156 770 910 1179 893 1054 818 600 461 600 860 1165 1631 1971 626 121 -262 -501 427 516 530 460 373 475 175 -97 -428 -992 -574 -790 -906 -902 -1943 -1565 -1123 -631 -254 16 455 377 548 371 124 311 431 220 464 693 185 -150 -183 -675 -645 -79 -743 -851 -681 -617 -272 164 286 185 175 67 -165 140 73 210 23 -7 -372 3 235 218 632 377 588 968 542 409 237 65 -224 54 -16 -96 -55 131 -104 -189 -123 -335 -425 -293 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