File name: Pandora64s1_NewHavenCT_20240730_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240731T050955.4Z 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_20240730_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: 20240730 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 20240730T124859.9Z 8977.534027 290 1 12.49 2 57.38 93.79 15.55 186.28 0.00 1 0.00 1 0 17 2.182e-02 8.384e-03 7.574e-03 2.932e-03 2.650468e-01 1.590087e-03 3.144799e-03 -6.000000e+00 1.339814e-02 232.39 -2.00 3.52 -2.00 316.80 0.00e+00 8.433482e-04 2.056665e-04 8.541113e-05 -6.000000e+00 5.988429e-04 289.69 -2.00 20.00 -2.00 315.98 0.00e+00 1.848 0.000 302.00 328.00 3 4.7047e+00 4.1943e-03 2.3273e-02 -6.0000e+00 3.3571e-02 2.0677e-02 4.6771e-03 1.3899e-02 -6.0000e+00 3.6149e-02 -1.1810e-03 2.7303e-03 6.7066e-03 -6.0000e+00 2.1541e-02 -3.3606e-03 1.2906e-03 1.9280e-03 -6.0000e+00 9.1139e-03 5.3857e-04 7.7231e-04 9.1127e-05 2.3050e-05 -6.0000e+00 6.4975e-04 1.0177e-02 5.3440e-05 12 9 1 12 1 1 99.89 21.46 0.07 0.01018 0.01598 7 7 1 5 0 1559.400 25.90 20.02 21.46 32.36 40.0 1061.07 544 452 -387 -3771 -20648 -118 -1074 -3678 1969 908 -5735 -673 960 -719 2914 72 -202 1354 311 2256 2586 783 3692 684 568 -157 280 -1893 -1296 -759 1817 -76 2766 -930 -3665 -2295 -185 -1169 481 286 -514 -1027 -1012 -1530 -282 -275 -1269 -435 -352 -967 1273 1245 1593 957 -346 1135 1206 351 885 569 274 1423 941 2281 525 -924 9 -709 685 1059 839 588 -40 399 -387 -297 -494 -2233 -1147 -517 -1407 -725 -2488 -1755 -125 -342 223 295 1260 340 321 106 -799 64 420 541 -284 1186 -5 -151 -838 -1588 -1332 259 199 -1129 -586 -360 -145 214 839 54 295 -87 -205 173 529 60 777 -19 -443 42 642 138 1498 444 -627 1213 862 241 579 -617 -600 -121 667 -422 -388 258 97 -495 -134 -745 74 65 -55 -502 -3035 -15 -144 -562 307 146 -983 -120 192 -166 692 19 -55 379 91 670 764 236 1134 227 196 -56 95 -618 -406 -244 613 -28 1003 -358 -1381 -859 -77 -546 261 166 -318 -662 -639 -967 -185 -179 -814 -273 -219 -624 823 850 1142 721 -257 850 909 264 654 430 219 1212 823 2036 453 -783 8 -588 597 975 816 584 -39 368 -343 -248 -388 -1782 -996 -478 -1392 -747 -2732 -1958 -148 -413 278 372 1544 395 357 112 -843 66 467 638 -358 1541 -7 -192 -1042 -1930 -1602 318 251 -1501 -790 -506 -208 313 1258 80 426 -121 -275 225 706 81 1125 -28 -650 60 916 188 1996 590 -820 1578 1201 345 832 -913 -917 -188 1052 -693 -652 425 162 -806 -212 -1184 SS 20240730T130428.4Z 8977.544773 300 1 1.54 2 54.48 96.52 16.13 198.56 0.00 1 0.00 1 0 17 1.099e-02 7.505e-03 4.251e-03 2.038e-03 2.491164e-01 1.108456e-03 2.983091e-03 -6.000000e+00 6.744956e-03 232.39 -2.00 3.52 -2.00 316.25 0.00e+00 3.570202e-05 1.257234e-04 7.462545e-05 -6.000000e+00 3.016828e-04 289.69 -2.00 20.00 -2.00 315.44 0.00e+00 1.716 0.000 302.00 328.00 3 2.2134e+00 2.9014e-03 2.1717e-02 -6.0000e+00 1.6900e-02 2.9850e-03 3.2235e-03 1.3048e-02 -6.0000e+00 1.8201e-02 -2.0430e-03 1.8542e-03 6.3128e-03 -6.0000e+00 1.0846e-02 -4.0995e-03 8.5129e-04 1.7193e-03 -6.0000e+00 4.5860e-03 7.6976e-03 2.2252e-05 6.3033e-05 2.2481e-05 -6.0000e+00 3.2730e-04 1.1044e-02 -6.3225e-05 12 9 1 12 1 1 99.31 21.47 0.22 0.01104 0.01121 11 91 1 5 0 127.300 25.90 20.00 21.47 32.80 40.4 1062.64 2026 -1252 1428 -3624 -4344 -1331 49 -828 1789 -1654 -2513 -1524 565 -1483 1160 -277 -225 954 443 749 371 39 706 754 599 1844 56 -1318 -641 844 1377 346 2260 -996 -4020 -1595 -1284 -1140 361 -269 -810 -926 -629 -958 -617 -122 -992 465 -730 265 1359 617 877 1506 -436 1154 947 1139 202 845 433 1563 931 2055 -171 -945 -576 -1086 855 1732 -202 491 -431 585 6 -655 -1253 -2085 -458 -496 -1320 -605 -1952 -1172 -550 -355 214 57 663 360 353 537 -22 12 912 282 153 1016 405 -470 -240 -1563 -1337 254 120 -1458 -308 -789 -137 57 703 4 -28 -22 41 -211 668 -138 733 72 -116 50 774 -6 1277 433 -459 688 994 501 552 -606 -519 -28 447 -392 -598 316 -65 -363 23 -658 368 -245 269 -646 -727 -221 9 -166 378 -368 -560 -366 150 -419 357 -92 -77 338 162 263 131 14 261 293 242 751 22 -498 -249 331 533 143 986 -435 -1721 -709 -600 -625 216 -171 -546 -648 -449 -682 -438 -85 -681 309 -486 180 976 445 664 1184 -355 947 786 931 165 697 358 1375 833 1876 -151 -821 -482 -922 753 1669 -199 491 -424 570 5 -562 -1069 -1784 -400 -460 -1297 -643 -2103 -1331 -639 -435 260 70 799 426 403 589 -23 13 991 324 185 1320 513 -600 -298 -1847 -1565 315 152 -1874 -412 -1064 -194 81 1032 6 -39 -30 54 -274 883 -186 1009 104 -168 70 1096 -8 1704 555 -577 895 1320 704 776 -877 -773 -42 683 -622 -973 500 -106 -574 36 -1022 SS 20240730T130925.0Z 8977.548206 303 1 48.34 2 53.56 97.42 16.44 202.27 0.00 1 0.00 1 0 17 1.070e-02 7.422e-03 5.251e-04 2.567e-04 2.424105e-01 1.402331e-04 2.912298e-03 -6.000000e+00 6.565858e-03 232.39 -2.00 3.52 -2.00 316.21 0.00e+00 2.889051e-04 1.567071e-05 7.014696e-05 -6.000000e+00 2.936453e-04 289.69 -2.00 20.00 -2.00 315.40 0.00e+00 1.679 0.000 302.00 328.00 3 1.6528e+00 3.6663e-04 2.1213e-02 -6.0000e+00 1.6451e-02 -3.6215e-03 4.0684e-04 1.2712e-02 -6.0000e+00 1.7718e-02 -1.2798e-03 2.3403e-04 6.1494e-03 -6.0000e+00 1.0558e-02 -3.5625e-03 1.0719e-04 1.6817e-03 -6.0000e+00 4.4645e-03 1.4173e-02 1.0734e-04 7.9596e-06 2.2145e-05 -6.0000e+00 3.1859e-04 1.0891e-02 -5.4138e-05 11 8 0 10 0 0 99.32 21.47 0.19 0.01089 0.01170 761 183 1 5 0 63.510 26.00 19.98 21.47 32.60 40.5 1062.17 282 -1452 -361 -3839 -4304 -1342 -300 666 893 -732 -3332 -1289 142 -26 1111 396 -589 940 326 1672 746 -182 992 838 506 1267 245 -992 -522 628 1663 155 2154 -1087 -4178 -1770 -1468 -702 404 -65 -1173 -1013 -346 -1151 -326 -240 -759 -166 -733 -29 1252 901 849 1202 197 857 976 503 303 548 734 1333 1194 2063 57 -1059 -147 -1166 1124 1325 193 298 -318 560 -55 -649 -661 -1710 -258 -494 -1212 -785 -2156 -1649 -424 -420 92 67 831 295 466 434 -508 386 1002 251 -113 1034 258 -599 -489 -1429 -1392 473 46 -1295 -205 -802 -185 286 620 154 165 137 -15 178 599 -153 612 268 -188 -211 620 -51 1190 729 -549 861 892 358 443 -495 -581 -233 460 -272 -428 300 12 -422 52 -798 54 -293 -71 -706 -740 -228 -55 134 194 -164 -762 -314 38 -7 347 132 -205 337 121 635 285 -65 369 328 206 522 98 -375 -203 248 644 64 942 -475 -1791 -787 -735 -383 241 -44 -790 -706 -245 -817 -230 -167 -518 -111 -485 -20 894 680 637 938 158 698 800 409 244 449 598 1163 1109 1861 53 -909 -128 -977 1023 1262 197 294 -323 538 -51 -549 -552 -1435 -221 -474 -1228 -821 -2395 -1848 -483 -506 114 85 1024 343 522 468 -520 400 1116 295 -140 1314 333 -748 -598 -1727 -1671 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