File name: Pandora133s1_Heidelberg_20260410_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20260410T233448.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20260410_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20260410 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: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20260410T084609.9Z 9596.365392 196 1 12.31 2 53.25 127.20 85.23 219.14 0.00 1 0.00 1 0 17 4.167e-02 1.076e-02 1.957e-02 5.292e-03 2.877952e-01 2.679943e-03 3.633405e-03 -6.000000e+00 2.395202e-02 227.37 -2.00 3.74 -2.00 317.59 0.00e+00 1.665967e-03 4.022494e-04 2.072855e-04 -6.000000e+00 1.015110e-03 273.37 -2.00 20.00 -2.00 317.03 0.00e+00 1.667 0.000 302.00 328.00 3 6.0821e+00 7.0899e-03 2.2791e-02 -6.0000e+00 5.9640e-02 2.9530e-02 7.9638e-03 1.5587e-02 -6.0000e+00 6.4791e-02 -2.4445e-03 4.9464e-03 7.7818e-03 -6.0000e+00 3.8383e-02 -3.7797e-03 2.5000e-03 2.5563e-03 -6.0000e+00 1.6338e-02 1.5921e-04 2.5012e-04 1.5402e-04 2.5871e-05 -6.0000e+00 1.1393e-03 -3.8079e-03 0.0000e+00 12 9 9 12 9 1 99.86 22.15 -0.02 -0.00381 -0.00193 4 5 1 8 0 2461.020 19.97 22.15 17.06 26.11 26.32 1.8 848.51 -8162 -3470 -5629 18770 -19786 22238 -12939 4925 542 128 -6857 15557 -5107 428 -3738 1471 861 7647 -4994 2249 1676 -3978 1871 518 2021 -3237 -5812 -370 55 6170 7759 2883 -940 -3247 -7081 285 -1257 -1177 635 -870 -245 -1263 -1645 -411 2305 -584 -3246 -1066 -724 798 1124 2226 1243 1176 2403 1379 571 2702 707 465 -574 390 2430 1192 883 -216 -787 -565 1466 1803 -503 1733 505 847 93 -2504 -2323 -1620 -2310 -2819 -769 -1141 -1883 -2299 -954 -10 46 607 1019 31 1475 -561 -1836 -1262 -212 62 1370 1058 786 -532 -777 -1478 -250 -102 -708 -1020 -142 8 717 355 1707 -135 725 -1160 -459 193 -732 250 694 146 1179 868 430 187 1056 -978 -629 -57 770 -727 -150 -682 226 -51 369 -324 975 -821 -85 -61 -200 -261 -825 -357 -585 1414 -1946 1507 -1324 474 59 14 -808 1633 -747 68 -702 282 173 1506 -1142 497 371 -931 433 127 510 -882 -1574 -89 13 1420 1894 797 -286 -986 -2110 83 -414 -452 279 -429 -126 -682 -906 -226 1233 -320 -1784 -568 -384 433 644 1332 783 770 1583 935 393 1797 472 316 -412 298 1941 989 706 -163 -578 -423 1183 1577 -469 1613 463 743 76 -1925 -1696 -1184 -1848 -2479 -723 -1146 -1973 -2517 -1095 -12 56 747 1228 36 1588 -580 -1838 -1282 -229 72 1712 1403 1045 -693 -964 -1741 -290 -125 -915 -1364 -195 11 1055 549 2667 -210 1085 -1658 -623 257 -1003 353 1030 223 1777 1291 631 264 1438 -1309 -831 -78 1096 -1092 -231 -1068 360 -83 629 -566 1720 -1478 -150 -106 -338 -434 SS 20260410T085112.4Z 9596.368893 199 1 21.17 2 52.60 128.54 85.73 220.13 0.00 1 0.00 1 0 25 2.365e-02 9.428e-03 1.048e-02 3.234e-03 2.768604e-01 1.639252e-03 3.486779e-03 -6.000000e+00 1.359315e-02 227.37 -2.00 3.74 -2.00 317.34 0.00e+00 1.366509e-03 2.301830e-04 1.635916e-04 -6.000000e+00 5.762861e-04 273.37 -2.00 20.00 -2.00 316.78 0.00e+00 1.642 0.000 302.00 328.00 3 5.8830e+00 4.3157e-03 2.2162e-02 -6.0000e+00 3.3846e-02 1.2894e-02 4.8402e-03 1.4941e-02 -6.0000e+00 3.6774e-02 -7.2409e-04 2.9562e-03 7.4242e-03 -6.0000e+00 2.1785e-02 -2.2244e-03 1.4749e-03 2.3186e-03 -6.0000e+00 9.2692e-03 2.0448e-04 -2.5043e-04 9.3705e-05 2.3972e-05 -6.0000e+00 6.4686e-04 -9.0941e-04 0.0000e+00 12 9 9 12 1 1 99.66 22.15 0.17 -0.00091 -0.00279 7 5 1 8 0 2644.910 20.00 22.15 17.06 26.11 26.32 1.8 848.76 3832 1574 -1700 8026 -10634 11858 -8160 -4128 1199 -2587 -4265 1070 -1533 -2033 -1503 208 4531 3884 -1205 -1748 2010 -3966 4370 -2250 2198 -4867 -1846 -514 -2617 2812 5280 758 37 -2097 -4824 -770 -2237 530 404 -268 95 97 -551 -1876 559 92 -1656 -1052 -384 926 1009 1557 845 165 1326 746 817 1625 532 337 1096 644 2135 1711 -529 -66 -1238 -1070 902 947 98 1553 1273 583 -133 -2594 -2232 -2709 -700 -2427 -1069 -953 -1709 -1690 -595 667 119 1333 1032 855 1695 -366 -2346 -864 -213 -640 1575 900 15 -606 -1241 -1173 -624 -454 -941 -524 -175 -455 321 806 1156 -269 963 -779 -43 12 -390 712 407 591 41 1337 518 -455 855 -669 76 -168 53 -212 -345 -707 -208 21 188 -20 899 104 172 -60 -535 -735 399 178 -196 767 -1103 1023 -921 -496 149 -337 -566 147 -245 -374 -310 45 983 880 -296 -445 495 -1036 1100 -631 613 -1481 -532 -138 -687 735 1445 234 12 -685 -1530 -246 -802 215 190 -140 52 55 -318 -1096 321 53 -952 -594 -213 527 607 982 559 114 916 529 582 1136 370 239 804 505 1760 1453 -437 -52 -942 -829 748 848 92 1473 1187 526 -112 -2065 -1682 -2064 -567 -2166 -1027 -967 -1809 -1862 -685 793 145 1632 1255 997 1850 -381 -2375 -884 -231 -751 1955 1183 21 -788 -1542 -1383 -731 -557 -1218 -693 -240 -644 471 1223 1791 -414 1417 -1104 -58 16 -530 997 599 888 62 1965 753 -643 1158 -890 100 -228 75 -313 -522 -1088 -326 34 314 -35 1551 183 297 -102 -895 -1208 SS 20260410T085715.3Z 9596.373094 202 1 22.80 2 51.84 130.17 86.34 221.30 0.00 1 0.00 1 0 17 1.560e-02 7.922e-03 6.474e-03 2.165e-03 2.775356e-01 1.099094e-03 3.530906e-03 -6.000000e+00 8.962858e-03 227.37 -2.00 3.74 -2.00 317.21 0.00e+00 8.074668e-04 1.487868e-04 1.706652e-04 -6.000000e+00 3.799852e-04 273.37 -2.00 20.00 -2.00 316.65 0.00e+00 1.615 0.000 302.00 328.00 3 5.2904e+00 2.8886e-03 2.2038e-02 -6.0000e+00 2.2317e-02 1.9595e-02 3.2364e-03 1.5018e-02 -6.0000e+00 2.4248e-02 -8.6974e-03 1.9580e-03 7.4530e-03 -6.0000e+00 1.4365e-02 -7.1044e-05 9.6831e-04 2.1780e-03 -6.0000e+00 6.1117e-03 3.8004e-04 -1.5122e-04 6.2738e-05 2.3979e-05 -6.0000e+00 4.2652e-04 -8.7892e-04 0.0000e+00 12 9 1 12 1 1 99.11 22.15 0.15 -0.00088 -0.00202 14 9 1 8 0 1519.460 19.99 22.15 17.14 26.11 26.32 1.8 849.73 422 -4134 -2354 -2658 -9292 -821 -4642 -2254 -1206 -2685 -3569 -572 -1055 80 892 269 2486 3538 442 769 349 -1717 1814 -814 1547 -1265 -2209 4 -1246 2220 3651 315 216 -2139 -3795 -1813 -2041 108 -465 -240 -71 259 -379 -2080 726 362 -1359 -478 -905 950 1086 1334 1585 1149 685 357 736 1130 436 -52 270 1569 2010 1447 -601 -513 -744 -210 926 1395 414 946 736 514 -44 -1124 -1864 -1884 -1747 -1769 -1714 -1113 -2158 -1155 -805 45 205 732 584 587 989 -276 -1436 -38 -464 -301 1493 1050 173 -124 -1149 -1305 -622 -564 -1136 -544 -446 -79 619 622 1095 -86 498 -603 -290 -73 -123 297 514 666 154 683 471 335 830 -490 361 112 34 -75 -266 -527 -451 109 -94 35 578 160 215 -231 -314 -860 49 -528 -294 -301 -1022 -85 -547 -288 -166 -380 -506 -86 -179 15 190 62 579 852 113 202 91 -460 492 -236 457 -394 -672 1 -342 612 1061 102 74 -727 -1240 -609 -765 46 -227 -130 -40 150 -224 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