File name: Pandora64s1_NewHavenCT_20240928_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240929T053910.8Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240928_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: 20240928 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 20240928T154942.9Z 9037.659524 358 1 1.96 2 45.29 161.44 33.69 233.91 0.00 1 0.00 1 0 25 1.304e-02 9.716e-03 7.478e-03 5.175e-03 1.766646e-01 2.808373e-03 2.205072e-03 -6.000000e+00 7.879203e-03 227.67 -2.00 3.52 -2.00 314.89 0.00e+00 3.562878e-04 2.390757e-04 5.352327e-05 -6.000000e+00 3.523842e-04 285.96 -2.00 20.00 -2.00 314.27 0.00e+00 1.419 0.000 302.00 328.00 3 4.1707e+00 7.1761e-03 1.6891e-02 -6.0000e+00 1.9543e-02 3.0025e-02 7.9398e-03 9.1834e-03 -6.0000e+00 2.1119e-02 1.5589e-03 4.5469e-03 4.5045e-03 -6.0000e+00 1.2606e-02 -4.3291e-03 1.9992e-03 1.2663e-03 -6.0000e+00 5.3763e-03 1.6605e-03 -2.7818e-04 1.5875e-04 1.8699e-05 -6.0000e+00 3.8780e-04 -2.0329e-03 -1.6650e-05 12 9 9 12 1 1 999.00 21.73 0.22 -0.00203 -0.00412 1 12 1 5 0 975.860 26.11 20.00 21.73 28.22 40.6 1032.92 537 853 -682 -1581 -3036 -1182 295 2529 2052 2642 -5852 958 215 2363 80 185 -2252 2699 408 1104 953 -235 -420 1130 -1258 1798 -1 -2080 -374 1215 304 -330 1844 -1250 -3934 -2740 -1839 -2710 217 388 -2041 -1518 -303 -996 285 -1071 1229 -256 42 -659 1642 135 1677 217 1615 1774 2215 1235 775 326 395 996 1220 2176 82 -1423 486 -1880 651 487 282 1182 374 731 444 -1011 -428 -1798 -883 -310 -795 -849 -1985 -2333 -526 -476 -43 -385 320 92 -146 -391 -1083 -412 939 1186 578 1474 581 -552 -490 -1318 -1828 589 129 -1419 -530 -712 -554 699 889 770 226 -262 -152 0 520 -47 297 620 -439 155 664 232 1213 1457 -890 948 988 546 438 -465 -958 -169 214 -304 -439 -433 145 -514 164 -444 185 288 -242 -508 -946 -362 91 842 739 961 -2158 348 87 996 36 89 -1124 1328 210 581 503 -124 -221 611 -719 1013 -1 -1134 -189 605 160 -181 1016 -692 -2179 -1507 -1077 -1798 159 297 -1635 -1248 -252 -827 233 -875 978 -201 33 -511 1314 112 1422 188 1398 1561 1956 1089 679 291 358 958 1201 2183 80 -1318 433 -1699 610 491 293 1248 390 750 432 -926 -372 -1538 -804 -293 -805 -908 -2184 -2649 -616 -575 -52 -481 392 109 -168 -424 -1123 -424 1020 1326 690 1843 726 -686 -588 -1534 -2114 693 159 -1803 -686 -934 -761 969 1260 1069 305 -342 -189 0 631 -60 388 826 -596 211 876 298 1513 1771 -1064 1148 1231 697 580 -614 -1302 -233 304 -440 -649 -639 216 -749 237 -628 SS 20240928T160233.8Z 9037.668447 367 1 49.36 2 44.61 165.88 35.69 237.85 0.00 1 0.00 1 0 17 2.522e-02 1.236e-02 4.670e-03 2.680e-03 1.834988e-01 1.439948e-03 2.230959e-03 -6.000000e+00 1.525296e-02 227.67 -2.00 3.52 -2.00 315.69 0.00e+00 1.076035e-03 1.451542e-04 6.416966e-05 -6.000000e+00 6.819538e-04 285.96 -2.00 20.00 -2.00 315.01 0.00e+00 1.403 0.000 302.00 328.00 3 6.3417e+00 3.7120e-03 1.6919e-02 -6.0000e+00 3.7833e-02 7.6845e-02 4.1231e-03 9.4932e-03 -6.0000e+00 4.0873e-02 -1.1249e-02 2.3653e-03 4.6195e-03 -6.0000e+00 2.4397e-02 5.1659e-04 1.0684e-03 1.4284e-03 -6.0000e+00 1.0413e-02 1.8645e-04 4.1644e-04 8.3023e-05 1.7366e-05 -6.0000e+00 7.4982e-04 -2.7124e-03 1.8221e-04 12 9 8 11 8 0 99.95 21.71 0.06 -0.00271 0.00042 21 5 1 5 0 2350.170 26.11 20.00 21.71 28.72 40.6 1035.28 1521 489 3904 -755 -23974 -394 -721 575 3681 574 -3047 -1350 -1156 -1631 1647 1621 -42 2337 1727 2370 2984 1778 3260 1587 1045 189 918 -1681 84 -3423 1807 -260 3256 314 -4841 -2437 -865 -1772 307 -215 -787 -985 335 -1719 29 -122 217 -697 -168 -2513 2336 1193 2098 1275 420 256 1506 -23 350 92 -76 1305 1336 1661 1717 -2011 -869 -1293 295 1364 1460 856 -189 902 -332 -1370 -1278 -3050 -1751 -416 -1818 -1634 -2068 -1634 -336 169 809 478 1432 876 -128 490 -2413 -916 -78 786 -450 1546 1125 -404 -974 -1640 -3017 -227 350 -1272 -499 485 61 1055 1524 731 253 169 -503 -1248 -313 -277 543 789 265 414 1186 563 822 373 -1847 473 1098 -96 557 -943 -670 -446 775 244 116 300 339 -812 -396 -988 387 130 995 -181 -6586 -85 -166 144 958 156 -837 -385 -366 -576 622 612 -16 920 698 981 1227 731 1361 699 476 88 412 -716 35 -1486 782 -119 1453 149 -2262 -1158 -425 -1019 192 -152 -589 -762 262 -1363 23 -94 160 -505 -118 -1825 1706 924 1677 1069 359 211 1236 -20 299 80 -65 1187 1284 1639 1609 -1784 -763 -1128 263 1331 1504 865 -199 898 -307 -1216 -1045 -2469 -1503 -391 -1803 -1758 -2225 -1846 -404 204 1012 608 1784 1084 -147 537 -2517 -941 -85 880 -556 1935 1438 -502 -1202 -1907 -3504 -274 450 -1645 -673 671 84 1526 2249 1062 365 225 -653 -1571 -398 -353 736 1116 380 583 1613 729 1063 462 -2244 579 1412 -124 745 -1295 -939 -652 1133 370 180 474 532 -1251 -593 -1446 SS 20240928T163417.3Z 9037.690478 383 1 48.48 2 43.74 177.20 40.94 246.31 0.00 1 0.00 1 0 25 1.220e-02 8.457e-03 1.415e-03 9.212e-04 1.732605e-01 4.968576e-04 2.118590e-03 -6.000000e+00 7.373588e-03 227.67 -2.00 3.52 -2.00 315.17 0.00e+00 4.556637e-04 4.506474e-05 2.794389e-05 -6.000000e+00 3.296863e-04 285.96 -2.00 20.00 -2.00 314.52 0.00e+00 1.382 0.000 302.00 328.00 3 4.5643e+00 1.2746e-03 1.6446e-02 -6.0000e+00 1.8289e-02 2.8016e-02 1.4127e-03 8.9356e-03 -6.0000e+00 1.9760e-02 -3.0663e-04 8.0866e-04 4.3696e-03 -6.0000e+00 1.1795e-02 -3.6205e-03 3.5874e-04 1.2469e-03 -6.0000e+00 5.0335e-03 1.1705e-03 1.4946e-04 2.8362e-05 1.7378e-05 -6.0000e+00 3.6266e-04 -3.4335e-03 8.9220e-05 11 9 0 11 8 0 99.93 21.80 0.12 -0.00343 -0.00231 70 17 1 5 0 692.560 26.21 20.00 21.80 29.13 40.7 1037.18 1068 -448 356 -2827 -7332 -954 -459 1310 1363 433 -3191 -1439 188 -7 1170 1047 -646 1471 733 2019 1198 -163 977 1239 149 1382 423 -888 -783 -180 1780 258 2048 -343 -4270 -2319 -1565 -1043 291 49 -951 -1093 -239 -945 -444 71 -558 -202 -785 -639 1291 887 824 1078 208 612 1190 380 294 365 480 1250 1345 2048 812 -1466 -549 -1573 419 1468 353 451 -21 520 284 -714 -804 -2389 -629 -448 -1198 -691 -2005 -1973 -334 -412 167 228 864 436 410 415 -1010 -263 886 398 -46 1333 812 -311 -450 -1410 -1846 167 303 -1456 -331 -489 -225 385 788 470 319 1 -348 -307 353 -260 587 605 -6 -45 669 3 925 1007 -838 589 834 431 515 -516 -723 -467 439 -79 -377 350 193 -517 14 -851 318 -140 109 -870 -2149 -262 -134 414 428 140 -1037 -484 69 -3 518 454 -289 666 341 957 573 -78 479 631 79 736 220 -433 -388 -88 896 127 1056 -177 -2139 -1188 -887 -638 207 37 -758 -900 -199 -790 -368 58 -441 -154 -586 -482 1008 729 706 903 178 529 1032 329 251 317 434 1200 1286 2003 763 -1360 -480 -1373 392 1422 365 479 -22 519 277 -633 -699 -2050 -569 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