File name: Pandora177s1_WestportCT_20240113_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T041715.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240113_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240113 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240113T152837.9Z 8778.644883 140 1 48.81 2 66.25 156.27 78.93 127.26 0.00 1 0.00 1 0 25 3.032e-02 1.075e-02 2.583e-03 3.567e-04 3.518487e-01 1.845432e-04 4.239303e-03 -6.000000e+00 1.782831e-02 223.67 -2.00 3.51 -2.00 318.76 0.00e+00 2.544859e-03 3.951294e-05 9.468025e-04 -6.000000e+00 7.712426e-04 275.27 -2.00 20.00 -2.00 318.19 0.00e+00 2.465 0.000 302.00 328.00 3 5.7044e-01 4.9916e-04 3.0344e-02 -6.0000e+00 4.3983e-02 2.9491e-02 5.6960e-04 1.7838e-02 -6.0000e+00 4.7726e-02 -1.0478e-02 4.0339e-04 9.5844e-03 -6.0000e+00 2.8389e-02 -4.6019e-03 2.1349e-04 3.5658e-03 -6.0000e+00 1.2186e-02 1.6328e-02 1.6771e-06 1.1092e-05 3.9517e-05 -6.0000e+00 8.9056e-04 -7.9036e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.07 0.32 -0.00790 -0.00789 1393 320 1 5 0 35.010 26.41 19.99 23.07 15.19 23.2 961.44 -3115 -2993 -3882 -8860 -9236 -9599 -7494 -7324 -8950 -11298 -13191 -9721 -6860 -2338 -1220 375 -358 1926 1417 2149 792 562 975 249 -367 -1914 -3459 -3893 -3111 -1952 632 1375 95 -3286 -6190 -4991 -4120 -1214 -576 -828 -992 -509 138 239 1209 967 417 37 -233 334 1501 1602 1559 1431 671 1333 219 -496 -618 128 1367 2737 3228 2500 361 -1013 -1102 -718 2017 1634 1105 1559 975 1116 -319 -1462 -2769 -3266 -1963 -2190 -2258 -2402 -2763 -1631 -385 376 1445 1354 1679 1330 479 -819 -1803 -771 -744 -234 666 1412 551 -433 -1381 -1903 -618 -240 -1547 -1937 -1068 -860 736 1262 1119 620 276 -327 -648 -355 200 378 1107 530 838 917 1387 716 689 -919 -833 443 -217 -487 -1130 -1301 -555 -57 221 115 749 945 649 18 -318 -1306 -125 -132 -175 -395 -381 -387 -317 -347 -471 -631 -769 -595 -477 -185 -111 37 -39 214 166 260 99 70 124 34 -53 -288 -520 -566 -437 -278 96 233 18 -637 -1193 -955 -866 -295 -165 -272 -356 -191 53 93 470 378 163 15 -92 135 642 739 768 740 361 731 122 -277 -340 70 778 1519 1946 1604 235 -630 -651 -429 1286 1168 855 1233 764 830 -222 -1020 -1814 -2141 -1381 -1596 -1856 -2170 -2676 -1653 -411 424 1693 1616 1969 1496 505 -801 -1678 -720 -754 -264 832 1754 722 -559 -1817 -2317 -722 -291 -2031 -2474 -1417 -1200 1081 1980 1846 1034 444 -496 -918 -482 273 542 1675 840 1334 1424 2072 1036 953 -1341 -1183 643 -314 -765 -1877 -2229 -977 -106 430 215 1426 1815 1244 34 -618 -2470 SS 20240113T153737.5Z 8778.651129 143 1 49.01 2 65.59 158.44 77.62 128.89 0.00 1 0.00 1 0 25 2.895e-02 1.082e-02 2.296e-03 3.436e-04 3.418816e-01 1.774806e-04 4.119738e-03 -6.000000e+00 1.701988e-02 223.67 -2.00 3.51 -2.00 318.65 0.00e+00 2.527288e-03 3.677996e-05 8.784239e-04 -6.000000e+00 7.362290e-04 275.27 -2.00 20.00 -2.00 318.08 0.00e+00 2.404 0.000 302.00 328.00 3 5.5782e-01 4.7837e-04 2.9534e-02 -6.0000e+00 4.1989e-02 2.8048e-02 5.4461e-04 1.7285e-02 -6.0000e+00 4.5561e-02 -1.0192e-02 3.7937e-04 9.2421e-03 -6.0000e+00 2.7102e-02 -4.6529e-03 2.0034e-04 3.4420e-03 -6.0000e+00 1.1634e-02 1.7810e-02 1.8119e-05 1.0660e-05 3.7674e-05 -6.0000e+00 8.5012e-04 -8.2504e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.07 0.32 -0.00825 -0.00811 1522 350 1 5 0 32.030 26.41 19.99 23.07 15.68 22.9 962.81 -2967 -1776 -5128 -6975 -9448 -9471 -7574 -6487 -6373 -11912 -10785 -10637 -5788 -3293 -897 -253 -187 2001 987 2870 446 1003 733 892 -469 -1666 -3021 -3806 -2591 -2229 1153 1160 906 -3876 -5881 -4952 -4131 -1082 -578 -888 -1035 -280 -34 295 1023 841 656 -76 -181 331 1544 1423 1671 1368 768 1463 143 -367 -736 281 1386 2778 3122 2486 317 -1059 -1119 -751 2064 1513 1107 1493 1088 1072 -372 -1390 -2696 -3201 -2027 -2107 -2313 -2358 -2840 -1628 -340 340 1416 1277 1679 1303 573 -843 -1846 -891 -742 -241 615 1418 501 -382 -1392 -1938 -634 -298 -1507 -1947 -1050 -891 793 1251 1184 661 313 -298 -667 -339 132 403 1087 505 799 927 1378 717 716 -907 -741 427 -164 -534 -1091 -1325 -545 -60 261 156 738 915 632 46 -360 -1342 -131 -85 -257 -335 -428 -417 -351 -334 -357 -731 -669 -713 -431 -284 -88 -27 -22 238 124 368 59 133 100 128 -72 -266 -481 -587 -384 -336 184 207 175 -792 -1183 -991 -908 -274 -173 -304 -387 -109 -14 119 414 342 265 -31 -74 138 680 677 846 727 424 822 82 -210 -417 159 809 1581 1930 1632 211 -673 -674 -456 1337 1100 870 1201 866 810 -262 -986 -1793 -2127 -1444 -1551 -1921 -2150 -2777 -1664 -366 387 1674 1539 1988 1481 608 -831 -1731 -838 -755 -272 769 1765 657 -493 -1834 -2364 -743 -363 -1983 -2495 -1397 -1245 1165 1963 1948 1100 503 -449 -940 -457 180 574 1638 798 1269 1437 2054 1035 987 -1320 -1049 616 -236 -834 -1797 -2252 -950 -109 502 289 1391 1742 1200 85 -696 -2520 SS 20240113T154434.8Z 8778.655958 147 1 48.95 2 65.13 160.15 76.62 130.17 0.00 1 0.00 1 0 25 2.665e-02 1.086e-02 1.510e-03 2.474e-04 3.371116e-01 1.266424e-04 4.030027e-03 -6.000000e+00 1.567042e-02 223.67 -2.00 3.51 -2.00 318.50 0.00e+00 2.285301e-03 2.520967e-05 8.056259e-04 -6.000000e+00 6.779064e-04 275.27 -2.00 20.00 -2.00 317.93 0.00e+00 2.362 0.000 302.00 328.00 3 1.1320e-01 3.3881e-04 2.9000e-02 -6.0000e+00 3.8659e-02 2.3371e-02 3.8525e-04 1.6934e-02 -6.0000e+00 4.1950e-02 -1.0401e-02 2.6465e-04 8.9232e-03 -6.0000e+00 2.4953e-02 -3.6502e-03 1.3959e-04 3.2167e-03 -6.0000e+00 1.0711e-02 2.9196e-02 -2.8862e-05 7.6243e-06 3.3904e-05 -6.0000e+00 7.8279e-04 -7.7517e-03 0.0000e+00 12 8 8 10 0 0 30.04 23.08 0.33 -0.00775 -0.00797 1842 424 1 5 0 26.470 26.41 19.99 23.08 15.98 23.1 966.43 -1993 -2571 -3184 -6792 -7206 -8242 -6212 -5997 -6692 -10014 -11478 -9069 -5300 -2351 -727 -342 -1 2027 1708 2456 986 605 1124 937 298 -1355 -2856 -3284 -2695 -1843 883 1174 652 -3721 -6048 -5253 -4091 -1289 -528 -826 -928 -273 107 245 1194 855 445 13 -422 411 1471 1482 1623 1401 757 1254 315 -413 -529 145 1521 2759 3106 2483 233 -1170 -1191 -689 1955 1506 1086 1485 988 1099 -299 -1558 -2626 -3303 -1998 -2140 -2293 -2368 -2797 -1675 -376 380 1451 1306 1610 1301 466 -849 -1788 -736 -668 -267 658 1367 554 -470 -1392 -1959 -611 -214 -1562 -1916 -1045 -814 779 1280 1173 675 329 -288 -575 -321 190 373 1115 529 822 951 1387 757 723 -774 -728 468 -156 -466 -1091 -1329 -540 -50 227 114 720 880 631 -25 -381 -1363 -97 -138 -173 -361 -354 -397 -314 -340 -417 -669 -794 -662 -433 -221 -78 -40 0 263 233 345 143 88 167 147 50 -236 -496 -550 -435 -301 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