File name: Pandora187s1_PittsburghPA_20241027_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T212847.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20241027_L1_smca1c5d20230706p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20241027 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20241027T123050.6Z 9066.521419 207 1 46.57 2 82.62 114.20 35.35 146.53 0.00 1 0.00 1 0 17 5.900e-01 2.835e-02 4.606e-01 1.982e-02 8.507992e-01 1.197364e-02 9.426236e-03 -6.000000e+00 3.569093e-01 224.76 -2.00 3.49 -2.00 321.96 0.00e+00 2.908383e-03 6.950630e-03 3.521345e-03 -6.000000e+00 1.840117e-02 281.58 -2.00 20.00 -2.00 321.51 0.00e+00 7.199 0.007 302.00 328.00 3 2.2567e+00 4.6012e-02 8.7015e-02 -6.0000e+00 8.8932e-01 6.3180e-01 6.7676e-02 5.9225e-02 -6.0000e+00 9.7647e-01 -7.6806e-01 6.9090e-02 2.7138e-02 -6.0000e+00 5.6461e-01 3.0508e-01 3.1388e-02 1.0367e-02 -6.0000e+00 2.4696e-01 2.1580e-05 -1.2324e-03 5.8345e-04 1.1327e-04 -6.0000e+00 1.7979e-02 -7.6456e-03 7.3240e-05 12 8 8 10 0 0 96.01 19.38 0.64 -0.00765 -0.01691 19 6 1 5 0 2450.480 22.80 15.00 19.38 8.00 29.3 867.41 900000 900000 900000 900000 -234979 900000 900000 900000 900000 -224638 900000 -73984 -136863 900000 -151393 71227 900000 133871 99584 900000 900000 -74958 -164976 900000 -84615 -20498 33263 113472 152287 37195 22032 -22496 -84253 900000 48607 900000 900000 102481 4008 83139 -12996 65233 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-895 3564 -1589 5986 3516 3291 3959 2013 1284 3390 -180 -2391 -4366 -4936 -7546 653 5077 -1338 -1125 -1760 2290 -4396 -2524 -4707 -788 1148 -1856 -1374 2621 -782 -2052 -1837 -1248 4393 939 2148 1138 -3850 4472 1562 -110 -938 -917 2182 4839 2637 868 391 -1505 263 4235 624 -4844 146 1036 -1347 1284 394 -4039 SS 20241027T124148.6Z 9066.529035 210 1 45.78 2 80.73 116.11 34.32 150.83 0.00 1 0.00 1 0 25 5.756e-01 9.477e-03 3.617e-01 6.283e-03 7.345594e-01 3.517401e-03 8.263021e-03 -6.000000e+00 3.311977e-01 224.76 -2.00 3.49 -2.00 321.54 0.00e+00 1.889104e-03 1.856887e-03 2.145117e-03 -6.000000e+00 1.465336e-02 281.57 -2.00 20.00 -2.00 321.03 0.00e+00 5.901 0.004 302.00 328.00 3 1.6092e+00 1.2590e-02 7.0564e-02 -6.0000e+00 8.1753e-01 1.2811e-01 1.8549e-02 4.4941e-02 -6.0000e+00 8.8703e-01 -1.4496e-01 2.0012e-02 2.2391e-02 -6.0000e+00 5.2920e-01 4.3553e-02 9.2858e-03 8.3873e-03 -6.0000e+00 2.2797e-01 1.6969e-04 -5.0937e-04 1.7818e-04 8.6568e-05 -6.0000e+00 1.6025e-02 -7.4652e-03 3.6960e-05 12 8 8 10 0 0 90.85 19.38 0.51 -0.00747 -0.01129 92 28 1 5 0 497.440 22.80 15.00 19.38 8.37 29.2 869.24 -135656 -212817 -210646 -224718 -133829 -116095 -194570 -172112 -148819 -138565 -120456 -162726 -89712 -102615 -136016 -69184 -42130 856 -83382 -14923 -50233 -65871 -109852 -6585 -47461 -57288 -71382 -47283 -47216 -29466 -42316 -32336 129646 -6381 -16086 -3582 15358 -17862 -7092 6107 -6474 -3723 6910 8581 4243 9131 11523 2658 -3832 -2790 8268 4541 -67 4750 7489 1208 5841 7614 6679 1066 1761 6156 7326 3857 5789 616 2606 1546 2797 2531 2988 2412 3465 1265 1596 -1595 -2179 -3192 -13517 -2034 -860 425 -1120 -1105 629 -135 -3038 1416 1920 2222 1024 484 830 76 -275 -1588 -396 -76 229 219 -51 -1384 612 321 -1607 -1203 -1197 -777 659 271 -317 227 526 60 107 164 69 -399 -217 -403 -364 289 559 572 -148 -405 729 1291 520 386 191 192 106 351 -224 -426 51 -228 -215 86 -94 -141 -831 -1541 -1643 -2003 -820 -711 -1300 -1054 -912 -849 -738 -1450 -550 -857 -2045 -655 -352 5 -1300 -125 -616 -954 -2631 -62 -740 -1053 -1551 -790 -868 -505 -1011 -852 794 -164 -443 -88 348 -679 -300 273 -373 -226 398 499 263 554 706 187 -308 -243 729 470 -8 597 977 176 837 1064 912 152 261 977 1324 815 1259 140 586 372 750 783 1005 842 1167 406 461 -430 -567 -886 -4828 -777 -381 212 -620 -651 390 -89 -2163 982 1308 1436 625 282 478 48 -198 -1359 -389 -77 246 230 -55 -1339 543 295 -1614 -1268 -1346 -946 804 375 -487 362 832 91 156 233 100 -617 -353 -664 -581 439 818 807 -203 -537 959 1856 864 723 390 419 244 867 -544 -1072 130 -588 -589 223 -228 -323 SS 20241027T125243.8Z 9066.536618 215 1 45.92 2 78.88 118.05 33.43 155.32 0.00 1 0.00 1 0 25 3.789e-01 6.418e-03 1.040e-01 2.393e-03 6.349711e-01 1.291918e-03 7.229227e-03 -6.000000e+00 2.180026e-01 224.76 -2.00 3.49 -2.00 321.05 0.00e+00 1.497910e-03 5.935220e-04 1.018006e-03 -6.000000e+00 9.645014e-03 281.57 -2.00 20.00 -2.00 320.51 0.00e+00 5.004 0.002 302.00 328.00 3 9.6799e-01 4.3020e-03 5.8969e-02 -6.0000e+00 5.3812e-01 6.5502e-02 5.8665e-03 3.5007e-02 -6.0000e+00 5.8386e-01 -7.5750e-02 5.9930e-03 1.7708e-02 -6.0000e+00 3.4833e-01 1.8867e-02 2.8860e-03 6.2214e-03 -6.0000e+00 1.5006e-01 8.1421e-04 -3.3402e-04 6.9312e-05 7.0396e-05 -6.0000e+00 1.0547e-02 -7.7990e-03 3.1538e-05 11 8 0 10 0 0 86.90 19.38 0.36 -0.00780 -0.01031 269 83 1 5 0 170.670 22.80 15.00 19.38 9.05 29.5 874.60 -149937 -101494 -118904 -123160 -143875 -113613 -143219 -84467 -120646 -104358 -113273 -94191 -81115 -50171 -50603 -32018 -29931 -23599 -34113 -24840 -20667 -36314 -33546 -22845 -17318 -23830 -17257 -31027 -21268 -22974 -16948 -8422 2972 -3021 -11267 -7446 -8938 -2013 -5367 2735 -2304 1446 -99 5222 1515 2253 383 1457 -1545 1101 3228 993 3043 2726 3584 1536 3251 1411 1955 616 1833 2404 3817 2665 1685 502 368 71 1030 1764 1376 1500 1380 1252 69 -366 -1620 -2156 -4250 -1331 -1498 -948 -2181 -1365 -555 250 124 877 1299 919 910 -337 -444 -704 -419 -725 389 487 178 -110 -468 -813 -6 -80 -1573 -954 -712 -252 244 378 -13 250 546 292 84 183 -95 -375 -412 -388 -324 167 512 196 88 -489 625 813 475 536 230 155 147 75 -199 -373 53 -118 -188 196 -87 -221 -1177 -581 -883 -940 -1251 -723 -1336 -502 -1177 -952 -1201 -939 -895 -521 -665 -421 -438 -360 -629 -487 -400 -830 -790 -533 -416 -650 -451 -905 -556 -665 -550 -299 109 -125 -491 -314 -427 -108 -366 206 -206 134 -10 502 153 232 41 160 -184 138 443 156 514 503 696 318 680 298 399 126 389 563 1003 789 522 153 112 23 365 712 608 684 616 525 26 -128 -544 -755 -1736 -625 -820 -584 -1476 -974 -420 182 94 675 984 731 673 -237 -306 -516 -348 -636 389 549 213 -129 -506 -794 -5 -76 -1628 -1034 -818 -310 332 573 -21 426 914 466 127 270 -144 -600 -698 -671 -547 270 798 294 128 -685 860 1213 805 926 431 305 305 166 -472 -917 132 -297 -466 457 -192 -464 SS 20241027T125845.0Z 9066.540799 218 1 45.85 2 77.88 119.14 33.00 157.87 0.00 1 0.00 1 0 25 2.802e-01 6.143e-03 6.175e-02 1.702e-03 5.914907e-01 9.076047e-04 6.805940e-03 -6.000000e+00 1.612235e-01 224.76 -2.00 3.49 -2.00 320.70 0.00e+00 1.627980e-03 3.721973e-04 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