File name: Pandora187s1_PittsburghPA_20220212_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T082210.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20220212_L1_smca1c2d20210902p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20220212 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20220212T141704.7Z 8078.595194 256 1 9.67 2 70.70 128.72 113.94 358.77 0.00 1 0.00 1 0 25 1.111e-01 9.328e-03 1.526e-01 9.805e-03 4.469979e-01 4.978922e-03 5.374995e-03 -6.000000e+00 6.325698e-02 224.70 -2.00 3.49 -2.00 319.40 0.00e+00 2.289070e-04 1.304917e-03 2.337498e-04 -6.000000e+00 2.737226e-03 274.03 -2.00 20.00 -2.00 318.86 0.00e+00 2.991 0.000 302.00 328.00 3 3.7646e+00 1.3795e-02 3.6927e-02 -6.0000e+00 1.5647e-01 4.4776e-02 1.6141e-02 2.3045e-02 -6.0000e+00 1.7061e-01 4.5498e-03 1.3139e-02 1.1662e-02 -6.0000e+00 1.0133e-01 -9.3278e-03 6.9778e-03 3.5830e-03 -6.0000e+00 4.2913e-02 3.8347e-04 -3.9367e-03 2.8549e-04 4.1165e-05 -6.0000e+00 3.0999e-03 -1.2831e-02 -6.2225e-04 12 9 1 12 1 1 99.45 18.62 0.48 -0.01283 -0.04241 3 6 1 5 0 2372.090 21.98 15.00 18.62 7.65 14.4 953.16 -30278 67806 -31328 1814 -52262 -60792 -9706 -36931 -3066 -28178 -3464 -19249 3993 102 -1687 -3015 -1960 3891 -5662 -4776 6083 -16843 -2868 -5001 6801 -5594 196 2628 -919 6347 -5582 -4161 9865 2037 -6835 -3192 721 -6794 -4186 425 -5559 -1491 1731 4360 2877 2341 970 -3826 -5 893 2005 -1434 981 -1328 6065 1476 1717 -426 2071 -918 880 3569 4182 1124 162 -1654 810 1515 524 -474 269 1986 534 -248 -219 -131 -1708 565 -1698 -796 -1776 -2831 -1728 -1904 -716 -1001 1633 418 -40 1530 792 98 677 -1230 -667 216 1003 751 -404 -104 -1153 -582 -171 301 -1250 -1152 -1024 84 -151 641 -379 1204 254 41 490 495 -109 -237 355 -7 -162 -7 -434 24 -119 -693 1563 1065 953 964 318 165 322 -294 -34 -823 -281 -574 -528 352 478 -308 -646 648 -760 29 -1345 -1743 -201 -1147 -76 -943 -94 -690 137 4 -87 -178 -123 248 -419 -365 422 -1489 -235 -454 585 -566 18 228 -81 561 -631 -524 1187 264 -926 -435 108 -1321 -960 107 -1616 -437 506 1251 843 694 291 -1216 -2 295 717 -577 382 -563 2475 650 762 -190 953 -440 406 1769 2275 667 95 -932 437 849 334 -342 206 1510 399 -174 -139 -75 -947 318 -1108 -593 -1511 -2482 -1589 -1862 -741 -1099 1813 474 -45 1566 753 94 627 -1140 -688 250 1212 992 -549 -134 -1468 -676 -196 365 -1643 -1481 -1387 120 -235 1005 -629 1952 397 63 712 707 -162 -374 552 -11 -253 -12 -677 35 -169 -943 2085 1543 1519 1554 542 291 591 -543 -66 -1657 -573 -1179 -1054 663 909 -571 SS 20220212T142537.5Z 8078.601128 262 1 19.32 2 69.45 130.48 113.94 0.78 0.00 1 0.00 1 0 25 6.292e-02 7.942e-03 8.399e-02 6.278e-03 4.209252e-01 3.180656e-03 4.945123e-03 -6.000000e+00 3.594650e-02 224.70 -2.00 3.49 -2.00 319.28 0.00e+00 -2.975581e-04 8.014534e-04 2.392399e-04 -6.000000e+00 1.550638e-03 274.03 -2.00 20.00 -2.00 318.74 0.00e+00 2.820 0.000 302.00 328.00 3 3.8714e+00 8.7722e-03 3.4662e-02 -6.0000e+00 8.8928e-02 3.3079e-02 1.0234e-02 2.1433e-02 -6.0000e+00 9.6864e-02 1.2460e-02 8.1637e-03 1.0812e-02 -6.0000e+00 5.7526e-02 -1.3573e-02 4.3349e-03 3.1635e-03 -6.0000e+00 2.4424e-02 4.2090e-04 -5.8934e-04 1.8565e-04 3.6449e-05 -6.0000e+00 1.7545e-03 -1.7840e-02 2.1171e-05 12 9 1 12 1 1 99.98 18.61 0.45 -0.01784 -0.02227 10 8 1 5 0 1739.830 21.98 15.00 18.61 7.62 14.5 954.24 -4983 9351 2673 -22066 -42051 -6778 5769 10513 -10126 13521 -21074 7453 -23663 12403 -21377 6571 -10025 3124 -395 2466 2445 -10655 -5429 -3286 5599 -5483 3242 -5386 8682 3032 3939 -3283 7150 -94 -7646 -2598 2245 -3092 -1017 1143 -3779 -1191 -3140 4252 -301 2259 -2341 -1074 -324 -1795 3218 222 1027 55 3265 335 2273 -880 1297 -586 1539 1386 3948 1039 508 -1507 242 355 107 757 381 546 636 237 -683 1154 -2006 -252 -2349 -274 -2370 -1610 -1879 -1676 -498 -124 976 619 1198 942 1284 -486 665 -1042 -124 -125 540 337 413 -392 -1092 -1001 -286 106 -1189 -680 -977 135 577 783 -313 1051 126 385 -363 -17 -375 -237 150 -700 -179 176 281 0 21 -514 804 611 1153 -109 343 458 450 239 96 -481 -431 30 -279 70 -51 -441 -98 176 55 -540 -1158 -144 120 238 -315 350 -794 235 -1215 531 -1510 393 -760 222 -31 194 195 -978 -504 -323 538 -612 327 -558 760 298 432 -434 936 -13 -1105 -371 348 -607 -237 301 -1133 -365 -1010 1277 -95 698 -754 -343 -105 -621 1158 89 440 25 1504 164 1102 -433 611 -284 772 712 2175 622 297 -849 141 215 68 534 288 418 472 165 -434 701 -1191 -151 -1512 -198 -1979 -1464 -1814 -1601 -504 -133 1070 687 1290 952 1276 -456 597 -1001 -132 -140 675 460 571 -519 -1334 -1123 -315 124 -1510 -900 -1369 187 859 1257 -529 1739 200 568 -539 -24 -567 -355 237 -1139 -285 271 416 1 31 -710 1100 903 1740 -180 588 808 780 440 187 -969 -884 61 -558 133 -93 -828 SS 20220212T143526.5Z 8078.607946 265 1 24.06 2 68.05 132.55 113.88 3.09 0.00 1 0.00 1 0 25 3.860e-02 6.103e-03 6.843e-03 7.897e-04 3.957706e-01 3.989585e-04 4.712051e-03 -6.000000e+00 2.205365e-02 224.70 -2.00 3.49 -2.00 318.90 0.00e+00 1.012678e-03 8.982913e-05 2.681682e-04 -6.000000e+00 9.512911e-04 274.03 -2.00 20.00 -2.00 318.36 0.00e+00 2.652 0.000 302.00 328.00 3 4.7367e-01 1.0843e-03 3.2652e-02 -6.0000e+00 5.4559e-02 1.9257e-02 1.2454e-03 2.0310e-02 -6.0000e+00 5.9426e-02 -1.2399e-02 9.1837e-04 1.0105e-02 -6.0000e+00 3.5292e-02 -9.8825e-04 4.8675e-04 3.0772e-03 -6.0000e+00 1.4985e-02 1.5424e-02 -4.9204e-04 2.3104e-05 3.4718e-05 -6.0000e+00 1.0763e-03 -1.8188e-02 2.8952e-05 12 1 1 12 1 1 99.86 18.61 0.28 -0.01819 -0.02189 367 216 1 5 0 64.920 21.98 14.99 18.61 7.97 14.4 956.24 -10574 -10294 -10105 -15888 -16033 -14016 -13926 -10273 -9981 -10916 -13026 -8727 -6987 -3555 -2950 -1836 -1580 -354 -768 369 -756 -476 141 -408 -965 -2246 -2208 -3259 -3129 -1296 -528 262 -126 -3096 -4314 -3750 -2822 -1691 -661 -550 -888 -219 -260 587 823 480 220 -154 -64 840 975 986 1425 1030 1388 1475 1157 560 818 1152 1489 1881 2198 1432 24 -181 -496 -13 410 377 497 296 602 582 249 114 -682 -806 -946 -1104 -1031 -1918 -2249 -1469 -931 -369 291 525 619 611 437 -310 -232 -395 -336 -72 678 428 -138 -276 -713 -511 199 -300 -991 -494 -487 -10 523 351 172 264 469 155 196 -14 -293 -287 -441 -518 -106 47 311 350 134 -219 992 843 734 712 384 421 293 192 -178 -166 -7 -394 -266 -11 -408 -580 -326 -347 -347 -588 -544 -469 -510 -411 -440 -508 -633 -450 -421 -247 -239 -164 -151 -35 -81 40 -84 -53 16 -51 -129 -315 -305 -429 -400 -172 -78 43 -23 -571 -765 -684 -579 -410 -191 -166 -290 -75 -91 205 289 170 78 -55 -23 313 396 433 666 511 708 772 614 294 419 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