File name: Pandora64s1_NewHavenCT_20240820_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240821T052102.8Z 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_20240820_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: 20240820 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 20240820T123051.6Z 8998.521431 276 1 29.90 2 64.04 96.64 107.86 270.46 0.00 1 0.00 1 0 17 4.551e-02 1.018e-02 1.010e-02 2.705e-03 3.121821e-01 1.460393e-03 3.721261e-03 -6.000000e+00 2.791480e-02 231.37 -2.00 3.52 -2.00 317.61 0.00e+00 9.328490e-04 2.334516e-04 3.466523e-04 -6.000000e+00 1.249855e-03 289.61 -2.00 20.00 -2.00 316.77 0.00e+00 2.271 0.000 302.00 328.00 3 4.8843e+00 3.8945e-03 2.8109e-02 -6.0000e+00 6.9773e-02 4.9090e-02 4.3787e-03 1.6364e-02 -6.0000e+00 7.5116e-02 -1.1662e-02 2.6571e-03 7.9533e-03 -6.0000e+00 4.4800e-02 -5.2575e-04 1.3149e-03 2.2435e-03 -6.0000e+00 1.9057e-02 2.7430e-04 7.3324e-04 8.4180e-05 2.5644e-05 -6.0000e+00 1.3540e-03 -4.9267e-03 2.2399e-04 12 9 9 12 9 1 99.96 21.47 0.11 -0.00493 0.00058 12 5 1 5 0 2299.880 25.90 20.01 21.47 23.37 40.1 1013.05 -5521 -1287 1126 -2659 -48109 -2933 -3882 165 1509 2909 -10889 1218 -4645 -404 1798 2881 -2294 3590 -273 4165 1754 5818 3311 1628 557 -371 -131 -1088 -954 -4493 600 1067 2667 -634 -3984 -2684 -706 -2335 1323 -216 -323 -558 1201 -2235 469 -185 249 -658 -113 -1590 2137 1677 1658 517 968 441 1616 148 1014 567 998 1466 2584 2290 1576 -1401 52 -1399 530 836 953 543 -227 -511 -62 -1449 -514 -3265 -1600 -474 -1776 -887 -2045 -2058 -352 -740 113 69 1186 474 -70 111 -1163 -269 576 708 -270 1302 489 -249 -759 -1423 -2052 50 134 -1417 -567 -63 95 447 1072 427 225 544 -304 -645 264 69 535 926 1 8 665 655 1000 612 -976 774 896 -31 321 -908 -601 -345 555 -59 -301 326 291 -390 -190 -941 -496 -117 102 -228 -5689 -236 -341 15 153 302 -1299 141 -623 -60 297 513 -449 702 -57 874 380 1209 739 391 141 -97 -34 -265 -224 -1129 156 297 755 -184 -1131 -789 -229 -903 558 -105 -161 -290 632 -1218 250 -99 131 -345 -59 -866 1207 1014 1059 337 641 301 1104 102 679 386 711 1078 2019 1884 1264 -1077 40 -1051 432 726 877 514 -212 -455 -53 -1127 -388 -2511 -1271 -419 -1697 -888 -2182 -2237 -405 -871 138 85 1432 545 -77 117 -1177 -275 635 829 -340 1704 660 -326 -971 -1701 -2413 61 170 -1893 -767 -88 137 685 1648 654 341 791 -416 -887 369 98 778 1393 2 11 987 922 1394 819 -1286 1049 1260 -47 489 -1435 -946 -569 934 -103 -523 573 506 -678 -320 -1593 SS 20240820T123558.0Z 8998.524977 279 1 29.25 2 63.09 97.54 108.76 271.30 0.00 1 0.00 1 0 25 1.268e-02 7.395e-03 1.636e-03 5.307e-04 3.015504e-01 2.866870e-04 3.600929e-03 -6.000000e+00 7.770511e-03 231.37 -2.00 3.52 -2.00 317.19 0.00e+00 3.680265e-04 4.105941e-05 1.270245e-04 -6.000000e+00 3.480475e-04 289.61 -2.00 20.00 -2.00 316.35 0.00e+00 2.197 0.000 302.00 328.00 3 1.9482e+00 7.5881e-04 2.7185e-02 -6.0000e+00 1.9422e-02 1.6028e-02 8.4816e-04 1.5813e-02 -6.0000e+00 2.0915e-02 -1.2838e-03 5.0339e-04 7.6561e-03 -6.0000e+00 1.2474e-02 -4.4747e-03 2.4458e-04 2.1028e-03 -6.0000e+00 5.3016e-03 5.7352e-03 1.2288e-05 1.6432e-05 2.5708e-05 -6.0000e+00 3.7749e-04 -3.8761e-03 3.5116e-05 12 9 1 12 1 1 99.99 21.47 0.18 -0.00388 -0.00378 259 103 1 5 0 112.480 25.90 20.00 21.47 23.59 40.0 1014.09 1350 -2104 -273 -3942 -7266 -2562 -626 74 461 -1187 -4078 -2453 -485 -907 574 329 -943 723 314 1670 883 -569 1000 742 205 769 113 -1086 -1049 -95 1504 -164 2090 -564 -4485 -2286 -1870 -1009 252 95 -859 -791 -154 -776 -374 382 -442 37 -550 -100 1316 420 844 1498 238 916 1113 721 359 522 634 1454 1334 2192 584 -1258 -266 -1331 620 1599 241 405 -191 562 107 -828 -741 -1866 -547 -306 -1199 -758 -2143 -1962 -539 -488 200 106 868 412 332 434 -631 76 861 348 -87 995 578 -494 -339 -1471 -1500 185 405 -1436 -232 -750 -271 319 693 281 206 144 -153 -16 626 -164 572 388 -86 -323 598 5 967 861 -728 604 968 318 502 -463 -599 -381 486 -124 -496 372 140 -416 1 -721 146 -248 -32 -437 -772 -264 -69 9 61 -166 -588 -349 -78 -167 119 74 -224 179 81 441 219 -143 260 205 60 228 33 -301 -281 -26 439 -52 706 -193 -1515 -795 -729 -426 125 50 -487 -467 -93 -472 -228 230 -263 22 -323 -61 790 271 573 1065 175 646 794 510 268 371 472 1160 1081 1843 482 -1041 -212 -1078 514 1463 224 386 -179 526 92 -692 -579 -1465 -464 -275 -1145 -791 -2270 -2194 -611 -584 236 127 1072 483 377 456 -665 81 939 401 -106 1311 747 -649 -418 -1787 -1785 231 515 -1934 -312 -1062 -388 483 1044 421 307 209 -207 -21 834 -230 818 579 -128 -475 848 7 1300 1160 -965 826 1355 455 752 -718 -921 -614 793 -211 -829 629 235 -703 1 -1194 SS 20240820T124000.0Z 8998.527778 282 1 48.37 2 62.34 98.26 109.48 271.96 0.00 1 0.00 1 0 33 1.189e-02 7.483e-03 4.937e-04 1.720e-04 2.942592e-01 9.304243e-05 3.525846e-03 -6.000000e+00 7.284563e-03 231.37 -2.00 3.52 -2.00 317.04 0.00e+00 3.744805e-04 1.279922e-05 1.240752e-04 -6.000000e+00 3.263027e-04 289.61 -2.00 20.00 -2.00 316.21 0.00e+00 2.143 0.000 302.00 328.00 3 2.9245e-01 2.4573e-04 2.6519e-02 -6.0000e+00 1.8207e-02 1.0619e-02 2.7416e-04 1.5430e-02 -6.0000e+00 1.9608e-02 -2.0421e-03 1.6174e-04 7.4744e-03 -6.0000e+00 1.1695e-02 -3.5937e-03 7.7974e-05 2.0526e-03 -6.0000e+00 4.9696e-03 3.2119e-02 -1.5684e-04 5.3260e-06 2.5621e-05 -6.0000e+00 3.5394e-04 -3.7009e-03 8.9831e-06 11 8 0 10 0 0 99.89 21.47 0.21 -0.00370 -0.00488 2206 531 1 5 0 21.910 25.90 20.00 21.47 23.74 40.1 1015.04 597 -1606 -323 -4052 -5263 -2630 -1512 -238 -9 -947 -4013 -2501 -529 -362 736 304 -948 698 115 1382 774 -616 747 894 298 964 220 -1227 -1081 30 1627 -22 2133 -312 -4476 -2326 -1697 -981 141 123 -926 -943 -89 -746 -215 96 -571 -21 -589 -143 1254 943 860 1492 311 912 1185 661 247 545 659 1407 1293 2201 604 -1277 -283 -1437 669 1489 203 378 -258 472 71 -768 -816 -1884 -513 -323 -1234 -737 -2044 -2021 -574 -511 -4 82 837 414 396 488 -584 132 923 316 -84 1062 538 -472 -416 -1427 -1599 221 357 -1360 -295 -787 -269 292 731 297 206 126 -67 -11 617 -154 595 360 -118 -241 649 55 983 946 -761 630 971 350 487 -482 -603 -348 426 -139 -512 284 141 -457 11 -727 73 -193 -42 -501 -610 -302 -186 -32 -1 -134 -586 -393 -94 -73 167 75 -227 174 30 369 209 -169 212 268 94 310 70 -369 -313 9 512 -8 775 -115 -1625 -870 -659 -444 70 69 -528 -560 -54 -455 -131 58 -340 -12 -346 -86 802 643 583 1060 228 682 895 497 184 410 519 1123 1109 1855 527 -1054 -224 -1159 584 1361 189 361 -243 442 62 -638 -673 -1556 -432 -289 -1174 -766 -2159 -2258 -651 -613 -4 99 1036 486 450 513 -612 140 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