File name: Pandora206s1_BuffaloNY_20241010_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20241011T050924.3Z 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 v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20241010_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: 20241010 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 20241010T123948.1Z 9049.527640 78 1 25.53 2 77.42 112.19 155.58 60.36 0.00 1 0.00 1 0 17 3.307e-01 2.500e-02 2.696e-01 1.648e-02 5.687663e-01 9.157970e-03 6.925821e-03 -6.000000e+00 1.957411e-01 226.02 -2.00 3.55 -2.00 320.76 0.00e+00 9.446458e-03 3.798115e-03 4.902459e-03 -6.000000e+00 1.236125e-02 282.19 -2.00 20.00 -2.00 320.18 0.00e+00 4.463 0.002 302.00 328.00 3 4.9923e+00 2.8889e-02 6.2130e-02 -6.0000e+00 4.8918e-01 2.0119e-01 3.8010e-02 5.4701e-02 -6.0000e+00 5.3799e-01 -1.3228e-01 3.8133e-02 1.6019e-02 -6.0000e+00 3.0829e-01 3.7427e-02 1.8934e-02 1.6090e-02 -6.0000e+00 1.4165e-01 2.2250e-05 -7.6453e-04 4.8994e-04 8.2914e-05 -6.0000e+00 9.2922e-03 -2.1643e-02 5.9911e-05 12 8 8 10 0 0 99.61 18.16 0.73 -0.02164 -0.02739 7 7 4 8 0 3645.660 15.00 18.16 15.58 21.58 21.58 23.3 920.21 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 128113 122052 231757 900000 900000 -8300 900000 -18969 900000 14248 900000 42203 62623 -74727 900000 3427 900000 -17253 75833 76401 71079 20885 33695 18276 11219 18341 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-1192 -386 823 642 1073 459 -195 -850 -21 3485 -457 -1747 -2822 74 -316 -221 1144 3246 1718 -12 1235 2290 -1719 -2552 878 -3408 1024 -850 1133 -5109 -766 -325 826 -474 -2118 1526 -2176 1451 -2422 151 263 2961 -1820 2113 3446 1435 482 2146 3386 -979 1190 -886 -1717 -761 644 2305 -175 -333 -3746 -28 SS 20241010T124434.6Z 9049.530956 81 1 26.67 2 76.61 113.08 154.85 61.99 0.00 1 0.00 1 0 17 3.264e-01 7.363e-03 2.452e-01 6.347e-03 5.490776e-01 3.289089e-03 6.437417e-03 -6.000000e+00 1.844930e-01 226.02 -2.00 3.55 -2.00 320.62 0.00e+00 1.183595e-03 1.303790e-03 1.399660e-03 -6.000000e+00 8.210085e-03 282.19 -2.00 20.00 -2.00 320.02 0.00e+00 4.213 0.001 302.00 328.00 3 3.6313e+00 1.0223e-02 5.0901e-02 -6.0000e+00 4.5692e-01 4.6793e-02 1.3169e-02 3.1337e-02 -6.0000e+00 4.9679e-01 -2.9603e-02 1.2667e-02 1.5003e-02 -6.0000e+00 2.9450e-01 9.0092e-04 6.3397e-03 5.1244e-03 -6.0000e+00 1.2582e-01 1.2281e-04 -3.9656e-04 1.7837e-04 4.8842e-05 -6.0000e+00 8.4091e-03 -2.3514e-02 7.5368e-05 11 8 0 10 0 0 99.87 18.16 0.43 -0.02351 -0.02649 28 28 2 8 0 952.330 14.99 18.16 15.69 21.58 21.58 23.3 920.89 -75376 -39714 -32683 318242 68257 900000 -75785 900000 -57317 70085 29553 -1398 -47178 -20987 -43332 -5863 -8687 -8804 -39848 -28175 65249 -13821 8088 -1826 5160 -20327 -9509 -15654 -13600 -4362 -3161 2679 -8260 7769 -6245 4961 -8344 -18131 5977 6121 -505 -197 439 3143 -2287 39 6140 -8680 3702 -2237 10190 3998 3619 980 5027 882 2431 280 1561 -687 2018 265 598 2568 -3840 498 -439 244 -1077 1219 1154 874 43 456 1658 -1519 1921 -4009 -405 -1454 -164 70 -778 -2488 -1753 -828 47 -668 319 1165 841 365 125 1864 -395 282 428 -264 464 529 194 -56 -24 833 -708 -1029 -859 -492 -322 -160 566 183 -96 210 215 245 -69 -44 -607 261 -363 -1390 581 -184 312 453 145 934 1044 99 850 -56 -236 -320 1 -351 -55 247 27 -163 171 -200 -100 -656 -302 -257 1969 422 900000 -848 900000 -696 434 183 -12 -775 -335 -1033 -121 -209 -224 -1507 -1007 994 -447 223 -61 176 -918 -403 -689 -576 -171 -141 133 -507 456 -409 286 -574 -1600 507 637 -65 -27 63 457 -353 6 900 -1498 582 -389 1709 800 792 240 1265 231 652 77 431 -189 548 79 193 919 -1569 188 -161 90 -425 544 581 467 23 236 784 -663 764 -1646 -171 -704 -92 44 -553 -1895 -1366 -688 41 -605 289 1020 711 287 93 1341 -316 247 429 -305 571 656 236 -62 -24 814 -764 -1183 -1032 -628 -426 -233 877 302 -159 333 331 354 -99 -66 -968 423 -598 -2314 920 -283 455 659 202 1295 1553 167 1494 -106 -465 -639 2 -798 -128 565 63 -377 372 -428 -206 SS 20241010T125018.5Z 9049.534937 84 1 46.46 2 75.65 114.17 153.96 63.86 0.00 1 0.00 1 0 17 1.823e-01 6.051e-03 1.331e-01 3.378e-03 5.242048e-01 1.745496e-03 6.096877e-03 -6.000000e+00 1.017978e-01 226.02 -2.00 3.55 -2.00 320.68 0.00e+00 6.803750e-04 6.838088e-04 7.424141e-04 -6.000000e+00 4.503987e-03 282.19 -2.00 20.00 -2.00 320.06 0.00e+00 3.950 0.001 302.00 328.00 3 2.3388e+00 5.4465e-03 4.7548e-02 -6.0000e+00 2.5212e-01 -1.4540e-03 6.9554e-03 2.8397e-02 -6.0000e+00 2.7403e-01 5.3080e-03 6.6042e-03 1.4313e-02 -6.0000e+00 1.6340e-01 -1.0834e-02 3.3122e-03 4.4150e-03 -6.0000e+00 7.0153e-02 5.9795e-04 -9.5262e-04 9.5957e-05 4.7470e-05 -6.0000e+00 4.6397e-03 -2.2054e-02 -7.9578e-05 10 0 0 10 0 0 99.99 18.16 0.44 -0.02205 -0.02921 777 240 2 8 0 59.020 15.00 18.16 15.92 21.58 21.58 23.4 922.72 -13225 -48761 49232 -54070 -51874 -78013 -88012 -49237 -91620 34891 -49602 20913 -44988 13651 -8441 4098 -31970 -12761 -6481 -16898 -14291 -11591 -2328 -9332 -4812 -17912 -1900 -18012 -8105 -15156 7034 1727 5526 2464 -824 -10605 -11861 -5819 -5589 2722 -7070 1444 248 4046 384 5345 282 1276 -192 -1319 1369 -359 1383 -81 3654 846 3416 -188 3006 -2 1102 1171 2840 1127 595 960 25 1174 -674 1518 -277 1266 -1137 2070 268 1063 -369 258 908 -809 -890 -966 -2048 -2255 -1272 -1401 664 -428 945 593 744 1 877 475 482 -259 -56 802 249 114 -226 153 -550 -22 -1035 -845 -1006 -907 -381 -67 381 -360 1 -268 139 -175 430 216 426 -204 -14 -100 314 4 471 184 45 1211 291 379 123 356 -153 252 -303 -113 -310 282 84 -253 102 -372 -140 -74 -466 195 -606 -513 -951 -1276 -551 -1646 218 -752 165 -830 175 -167 86 -986 -355 -184 -567 -488 -385 -72 -344 -184 -837 -79 -858 -330 -672 286 86 306 157 -53 -708 -874 -470 -552 304 -1001 202 37 601 59 802 45 204 -32 -231 255 -76 314 -20 943 233 952 -55 828 -1 307 353 944 429 243 376 10 441 -274 698 -134 638 -591 1088 133 469 -150 101 377 -400 -513 -635 -1380 -1603 -956 -1136 556 -376 827 506 590 1 658 352 387 -239 -54 877 303 139 -262 161 -576 -23 -1172 -930 -1160 -1114 -500 -96 601 -604 1 -430 207 -247 597 313 654 -334 -23 -161 488 6 732 276 64 1724 462 614 218 668 -300 513 -665 -262 -740 681 205 -602 230 -797 -287 SS 20241010T130347.7Z 9049.544302 88 1 1.51 2 73.43 116.76 151.82 67.91 0.00 1 0.00 1 0 25 8.193e-02 5.881e-03 4.742e-02 3.015e-03 4.610429e-01 1.517363e-03 5.470583e-03 -6.000000e+00 4.578755e-02 226.02 -2.00 3.55 -2.00 319.66 0.00e+00 6.332583e-04 4.411660e-04 2.072419e-04 -6.000000e+00 2.025522e-03 282.18 -2.00 20.00 -2.00 319.00 0.00e+00 3.451 0.001 302.00 328.00 3 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