File name: Pandora75s1_EssexMD_20240617_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073136.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240617_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20240617 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240617T104621.6Z 8934.448861 118 1 52.02 2 79.18 68.53 138.54 296.68 0.00 1 0.00 1 0 17 4.093e-01 1.252e-02 1.808e-01 3.319e-03 6.486024e-01 1.863331e-03 7.852204e-03 -6.000000e+00 2.498002e-01 232.87 -2.00 3.48 -2.00 321.03 0.00e+00 2.568356e-03 8.816165e-04 5.449678e-03 -6.000000e+00 1.148919e-02 287.90 -2.00 20.00 -2.00 320.38 0.00e+00 5.125 0.002 302.00 328.00 3 2.5998e+00 6.3291e-03 6.7007e-02 -6.0000e+00 6.2607e-01 6.7657e-02 8.4287e-03 4.8693e-02 -6.0000e+00 6.7618e-01 -1.6587e-01 7.8679e-03 2.1155e-02 -6.0000e+00 4.0278e-01 5.8125e-02 3.7482e-03 4.7795e-03 -6.0000e+00 1.6735e-01 1.2522e-04 5.2037e-05 1.0131e-04 1.1691e-04 -6.0000e+00 1.2843e-02 2.7062e-03 -2.2710e-05 12 9 8 11 8 0 15.44 23.56 1.01 0.00271 0.00310 55 9 1 5 0 945.680 26.32 20.01 23.56 30.45 4.3 1033.88 -221594 -116323 900000 -9624 900000 -181714 -84870 -214535 -140802 -21880 -68125 54571 -96986 -1234 -52450 -55351 -41730 23661 -71347 -94189 51252 4146 -16355 -32460 -23507 -16555 -44013 -60186 -25047 -21091 -3401 -38066 34756 351 -2966 13387 8122 722 9017 1090 -6878 10495 8499 17629 -1183 13626 -527 4436 -4787 5495 3163 -3524 6400 12931 10632 14124 1956 2789 -2593 -874 2130 7493 3728 5133 3840 2365 2533 1883 3681 2126 2576 5116 657 -3403 -208 -1971 -3229 343 -1549 -4478 -2037 -2774 -1437 -20 -1438 286 -258 2508 742 19 528 -629 -1991 -1887 -1182 104 454 -199 242 -462 -1457 -1644 -1197 -839 -2606 -1790 -636 127 435 1232 1729 573 -193 -317 -61 344 -311 -203 277 501 493 712 1305 616 108 -215 -282 546 400 -88 -415 -712 -478 -183 -94 1 282 724 75 613 -398 -559 -748 -3780 -821 900000 -31 900000 -2512 -474 -4922 -1739 -90 -481 177 -1412 -9 -781 -1021 -770 253 -2147 -3779 497 66 -333 -840 -601 -418 -1495 -2376 -697 -607 -96 -1798 911 14 -122 472 331 37 522 81 -632 879 767 1500 -124 1261 -58 478 -595 663 433 -576 1044 2150 1930 2591 417 591 -570 -188 462 1687 982 1480 1180 735 785 611 1291 859 1140 2312 280 -1582 -86 -756 -1185 124 -634 -2212 -1041 -1625 -913 -14 -1050 219 -208 2028 610 15 395 -448 -1399 -1375 -952 96 439 -219 286 -549 -1655 -1716 -1165 -819 -2744 -1985 -741 159 593 1712 2619 923 -313 -501 -91 499 -459 -313 449 837 819 1147 2020 925 156 -303 -393 796 651 -161 -771 -1417 -1004 -380 -209 3 669 1735 179 1403 -873 -1171 -1545 SS 20240617T105649.7Z 8934.456131 121 1 51.69 2 77.28 70.04 140.28 299.31 0.00 1 0.00 1 0 17 2.922e-01 9.425e-03 3.982e-02 1.606e-03 5.704560e-01 8.712060e-04 6.810655e-03 -6.000000e+00 1.781648e-01 232.87 -2.00 3.48 -2.00 320.37 0.00e+00 2.223358e-03 3.342621e-04 3.475537e-03 -6.000000e+00 7.923513e-03 287.90 -2.00 20.00 -2.00 319.65 0.00e+00 4.418 0.001 302.00 328.00 3 2.1077e+00 2.6873e-03 5.5419e-02 -6.0000e+00 4.4683e-01 5.0229e-03 3.3478e-03 3.5817e-02 -6.0000e+00 4.8254e-01 -8.1539e-02 2.8837e-03 1.6678e-02 -6.0000e+00 2.8743e-01 2.4707e-02 1.4388e-03 4.1164e-03 -6.0000e+00 1.1897e-01 4.3566e-04 1.8487e-04 4.9129e-05 8.1318e-05 -6.0000e+00 9.0570e-03 2.4701e-03 1.1679e-05 12 8 8 10 0 0 57.06 23.57 0.68 0.00247 0.00386 131 21 1 5 0 394.520 26.32 20.00 23.57 31.07 4.2 1037.56 -138773 -103953 -63061 -87001 -60877 -125307 -85723 -103223 -91363 -61568 -66267 -58931 -63362 -42467 -54014 -41945 -31918 -26399 -23804 -30607 1669 -7753 -10597 -21833 -13645 -16810 -18906 -21358 -22100 -7060 -9703 -14816 2477 -11591 -8864 -3668 -5100 -4997 2575 -1019 127 3909 3814 3760 835 4400 2728 479 1899 2826 902 1684 3563 5518 2652 3834 909 1449 -436 559 1402 2377 3053 3548 2374 1235 409 626 1507 2746 2235 2910 943 115 -158 -1480 -2576 -2748 -3001 -2110 -1844 -1690 -1759 -1223 -964 201 529 1223 1090 386 374 -557 -809 -1577 -1060 -31 491 358 127 -470 -1199 -1749 -1250 -1055 -1302 -1197 -804 -120 547 1006 1146 655 243 -102 -384 -188 43 270 449 478 503 490 882 815 474 -4 -151 105 74 -50 -371 -641 -367 -261 103 22 372 520 179 240 -309 -517 -632 -2213 -1376 -602 -1053 -537 -2069 -1114 -1794 -1588 -868 -1048 -969 -1320 -898 -1582 -1294 -1010 -872 -831 -1213 50 -259 -380 -944 -586 -787 -924 -1054 -1090 -317 -512 -961 154 -886 -657 -260 -402 -463 268 -131 18 583 600 611 142 738 474 87 355 557 199 408 928 1526 729 1086 273 434 -131 166 428 784 1119 1422 1004 521 172 270 704 1432 1288 1600 527 68 -86 -741 -1223 -1316 -1583 -1280 -1183 -1224 -1396 -1033 -803 176 487 1151 1026 353 321 -490 -688 -1385 -941 -31 521 429 163 -606 -1471 -1986 -1432 -1132 -1488 -1450 -1029 -163 753 1517 1755 1052 390 -157 -602 -285 65 428 705 778 820 780 1353 1286 720 -6 -219 159 115 -87 -657 -1207 -725 -516 215 48 793 1125 386 527 -648 -1040 -1257 SS 20240617T110651.2Z 8934.463093 124 1 51.81 2 75.45 71.47 141.91 301.97 0.00 1 0.00 1 0 17 1.645e-01 8.432e-03 1.719e-02 9.975e-04 5.117691e-01 5.363289e-04 5.998112e-03 -6.000000e+00 1.003099e-01 232.87 -2.00 3.48 -2.00 319.82 0.00e+00 2.495616e-03 1.686348e-04 2.126410e-03 -6.000000e+00 4.461338e-03 287.90 -2.00 20.00 -2.00 319.04 0.00e+00 3.898 0.001 302.00 328.00 3 1.8210e+00 1.5712e-03 4.8024e-02 -6.0000e+00 2.5157e-01 -1.1591e-02 1.8836e-03 2.8743e-02 -6.0000e+00 2.7169e-01 -4.9090e-02 1.4948e-03 1.4212e-02 -6.0000e+00 1.6183e-01 1.2347e-02 7.6293e-04 3.9664e-03 -6.0000e+00 6.6978e-02 1.0064e-03 -8.0103e-05 3.0899e-05 6.1458e-05 -6.0000e+00 5.0998e-03 2.4065e-03 -1.7690e-05 11 8 0 10 0 0 -2.99 23.58 0.52 0.00241 0.00180 218 35 1 5 0 236.560 26.32 19.99 23.58 31.74 4.2 1042.77 -70986 -60442 -34365 -52424 -43337 -68911 -55263 -50982 -49151 -42298 -45005 -40015 -32053 -24972 -23459 -14447 -13130 -9964 -11744 -15458 448 -8877 -5367 -9958 -6111 -9079 -9103 -9715 -9915 -6907 -6269 -5465 -2847 -4025 -6495 -5099 -6425 -2908 488 -139 128 1252 1497 1296 515 2029 1696 206 244 1001 1634 2138 2613 3264 2079 2613 545 244 -396 465 1566 2730 3372 2924 2096 720 406 146 840 1931 1553 1575 1057 569 -286 -1565 -2321 -2432 -2313 -1925 -2005 -1963 -1847 -1531 -834 13 548 1252 990 609 468 -154 -915 -1067 -723 -281 500 261 143 -503 -1340 -1614 -1058 -704 -1098 -1119 -575 -269 600 958 983 531 268 -213 -180 -150 75 368 498 458 411 725 771 580 482 -103 -191 3 125 -105 -301 -601 -295 -161 -6 79 514 406 213 237 -296 -604 -699 -1243 -1111 -525 -954 -679 -1361 -1005 -992 -1052 -918 -1064 -993 -876 -785 -885 -586 -590 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