File name: Pandora64s1_NewHavenCT_20230927_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230928T165616.0Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230927_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: 20230927 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 20230927T114637.9Z 8670.490716 188 1 48.18 2 79.17 101.94 128.30 288.10 0.00 1 0.00 1 0 33 4.505e-01 4.677e-02 1.932e-01 1.245e-02 5.258602e-01 6.858435e-03 9.558412e-03 -6.000000e+00 2.725666e-01 227.92 -2.00 3.52 -2.00 320.54 0.00e+00 4.094949e-02 2.482763e-03 7.791836e-03 -6.000000e+00 1.219387e-02 286.22 -2.00 20.00 -2.00 319.89 0.00e+00 5.125 0.002 302.00 328.00 3 3.8558e+00 2.1142e-02 5.9629e-02 -6.0000e+00 6.7637e-01 6.8115e-01 2.4398e-02 2.7992e-02 -6.0000e+00 7.3072e-01 -7.7052e-01 1.6059e-02 2.5070e-02 -6.0000e+00 4.3617e-01 3.3909e-01 8.3429e-03 2.5170e-02 -6.0000e+00 1.8591e-01 3.0063e-05 -2.6993e-03 3.7539e-04 4.9993e-04 -6.0000e+00 1.3396e-02 1.1306e-02 5.3817e-04 12 9 8 11 8 0 99.99 20.98 -0.18 0.01131 -0.00898 54 13 1 5 0 892.070 25.58 20.00 20.98 14.90 37.2 969.62 13638 131243 93677 91961 -145122 164783 15043 -25531 13172 32627 -20290 58215 14353 30727 85033 89162 64667 138687 45706 152724 82241 234996 88544 69900 9867 37822 40010 37971 20841 -13915 59545 65165 41993 57918 76892 24262 46196 19800 21860 20789 20927 19404 37651 -4828 29634 31675 45331 26920 46100 5727 45458 29271 31902 7748 26935 662 1017 -6304 16454 3430 6682 4410 20408 16761 27587 7743 13668 8199 8712 -684 5171 -3004 1673 -8830 -2694 -9106 7585 -13054 -2518 252 -1178 -13841 -5466 -6783 -6375 -7141 -661 -924 -814 436 -5313 -4369 -8990 -7156 -6175 -1832 -2939 1347 391 2778 -354 307 -5737 -60 -3615 -3668 -4141 3586 -2152 1645 449 443 -148 1312 -56 -720 371 1124 1112 2671 2168 4136 3212 4412 3130 3864 -2717 2981 2621 2123 528 169 -395 -575 -273 -1606 -433 -217 312 -1576 14 -3046 745 2846 2882 2792 -30839 2001 548 -1219 411 764 -723 1212 604 1517 3166 3825 3926 4691 3538 4636 4461 3091 3840 3153 671 1837 1879 1875 1350 -1426 3904 4695 4016 5064 5042 2467 4188 2344 2754 2840 2970 2931 5115 -1004 4925 5481 7121 5291 7662 1395 8487 6419 7064 2241 6253 193 286 -1846 3820 953 1971 1509 6705 6285 9419 3081 5048 3209 3684 -333 2487 -1580 806 -4408 -1220 -4007 2731 -6024 -1205 130 -702 -10401 -4004 -5262 -5251 -6238 -565 -808 -707 358 -4283 -3268 -6768 -5542 -5357 -1761 -3106 1543 477 3224 -396 326 -6111 -63 -4182 -4203 -5110 4400 -3062 2480 737 740 -243 2019 -83 -1046 550 1739 1829 4450 3582 6479 4933 6398 4427 5255 -3863 4290 4220 3756 1021 342 -839 -1222 -612 -3774 -1019 -517 730 -3577 30 -6704 SS 20230927T115514.4Z 8670.496694 194 1 8.15 2 77.60 103.43 129.73 289.90 0.00 1 0.00 1 0 25 3.308e-01 2.164e-02 2.390e-01 1.259e-02 4.966694e-01 6.875109e-03 6.085979e-03 -6.000000e+00 1.998430e-01 227.91 -2.00 3.52 -2.00 320.12 0.00e+00 6.463094e-03 2.333218e-03 1.908885e-03 -6.000000e+00 9.102352e-03 286.22 -2.00 20.00 -2.00 319.42 0.00e+00 4.522 0.002 302.00 328.00 3 3.6528e+00 2.0359e-02 5.2285e-02 -6.0000e+00 4.9575e-01 1.6585e-01 2.4435e-02 2.6743e-02 -6.0000e+00 5.3594e-01 -1.4070e-01 1.9499e-02 1.4922e-02 -6.0000e+00 3.1990e-01 5.1606e-02 1.0001e-02 6.1884e-03 -6.0000e+00 1.3636e-01 8.3786e-05 -1.6835e-03 3.9300e-04 8.6162e-05 -6.0000e+00 1.0000e-02 5.6662e-03 -1.3846e-04 12 9 9 12 1 1 99.97 20.97 -0.23 0.00567 -0.00698 4 7 1 5 0 1628.760 25.58 19.99 20.97 15.06 37.2 970.67 -90444 24355 -126006 900000 -40924 88942 -122923 82310 -23018 35467 -58591 206100 -34209 65357 -11671 68944 -19880 16201 -22477 25467 -26393 118528 28364 75051 -18409 24261 -2338 61231 -1325 -39311 -25590 17461 -2985 2252 -10515 11908 11313 6389 9144 -41 -524 7531 2851 -8375 8131 4353 5495 -5197 5102 -3343 19393 4187 8147 -3282 1592 -2607 12075 -6138 9731 -716 8912 -3 5839 -15 10198 -5201 3136 -195 8838 -981 4405 -2625 2176 -2947 3421 -1981 3893 -5134 5241 -2541 34 -7003 -798 -4060 -573 -2534 1339 456 1746 -978 -1030 1195 -2313 -3251 -139 582 -1171 3536 737 -1341 -1135 -1313 -3508 216 -218 -2805 -1969 1697 -1450 2332 244 1440 -1129 1793 -1160 1353 -1189 812 773 472 -1742 1801 933 2320 -768 2517 -2288 2113 -31 895 52 676 -1072 -564 146 -420 -753 638 1358 -1488 -367 -471 -3021 339 -6428 900000 -856 1091 -5949 1010 -515 522 -2030 2529 -1282 1253 -517 1745 -1179 729 -1480 1146 -1892 2363 1295 2383 -1379 1290 -161 2298 -89 -4061 -2677 1330 -312 224 -1134 1084 1169 817 1285 -7 -100 1395 579 -1932 1626 921 1163 -1256 1145 -869 4425 1205 2414 -1104 524 -918 3711 -2230 3128 -248 2989 -1 2467 -7 4403 -2510 1394 -93 4296 -561 2530 -1649 1261 -1694 1765 -985 1760 -2628 2746 -1586 23 -5753 -654 -3491 -512 -2434 1289 448 1673 -912 -895 1000 -1945 -2783 -129 608 -1344 4293 950 -1702 -1343 -1488 -3930 246 -256 -3526 -2619 2317 -2137 3605 394 2318 -1812 2753 -1735 1929 -1789 1254 1268 764 -2845 2863 1458 3411 -1126 3586 -3367 3067 -50 1513 94 1274 -2073 -1148 304 -905 -1655 1403 2919 -3146 -764 -941 SS 20230927T120822.1Z 8670.505811 200 1 48.34 2 75.21 105.75 131.88 292.78 0.00 1 0.00 1 0 25 5.667e-02 6.916e-03 1.111e-02 8.619e-04 4.344200e-01 4.625368e-04 5.102404e-03 -6.000000e+00 3.425938e-02 227.91 -2.00 3.52 -2.00 319.40 0.00e+00 1.157512e-03 1.277683e-04 3.363623e-04 -6.000000e+00 1.532949e-03 286.22 -2.00 20.00 -2.00 318.66 0.00e+00 3.839 0.001 302.00 328.00 3 1.4416e+00 1.3070e-03 4.4481e-02 -6.0000e+00 8.5014e-02 -2.9251e-03 1.5377e-03 2.2822e-02 -6.0000e+00 9.1871e-02 1.7269e-02 1.1705e-03 1.1340e-02 -6.0000e+00 5.4837e-02 -1.4690e-02 6.0860e-04 3.4574e-03 -6.0000e+00 2.3362e-02 1.6829e-03 -1.1945e-04 2.6895e-05 4.0225e-05 -6.0000e+00 1.6856e-03 2.7824e-03 1.1543e-05 11 8 0 10 0 0 100.00 20.97 0.19 0.00278 0.00188 414 100 1 5 0 116.740 25.58 20.00 20.97 15.43 37.2 972.18 -6391 -21970 -9603 -23033 -38727 -20488 -10124 -19946 -2809 -15385 -10979 -14889 -1345 -5376 1472 -1378 -278 -1941 846 1037 -81 -2089 1954 -795 981 -3 43 -2719 -1370 -2124 2109 413 3199 308 -4214 -2103 -2225 -1407 -177 21 -1029 -299 -582 -952 -559 797 -797 642 -640 -459 1093 -2284 847 1628 313 1078 758 640 -224 913 212 1703 1452 2783 692 -788 35 -1149 951 1608 254 576 -90 508 -473 -767 -699 -1818 -584 -292 -1177 -651 -1944 -1813 -403 -261 225 272 1134 632 627 567 -574 218 910 201 44 1122 631 -445 -424 -1744 -1694 255 313 -1467 -270 -804 -87 281 872 83 181 -3 -251 -191 510 -349 651 148 -261 -349 552 29 989 580 -1062 383 925 183 392 -619 -563 -393 436 -91 -413 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