File name: Pandora177s1_WestportCT_20230915_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20230918T120500.8Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20230915_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230915 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20230915T121049.0Z 8658.507512 83 1 4.60 2 72.64 101.53 77.31 97.53 0.00 1 0.00 1 0 25 7.912e-02 1.163e-02 4.821e-02 4.678e-03 4.047247e-01 2.453838e-03 4.957213e-03 -6.000000e+00 4.733702e-02 229.26 -2.00 3.51 -2.00 319.28 0.00e+00 2.493053e-03 6.498932e-04 2.188704e-03 -6.000000e+00 2.134081e-03 287.82 -2.00 20.00 -2.00 318.46 0.00e+00 3.302 0.001 302.00 328.00 3 2.6264e+00 6.9295e-03 3.9687e-02 -6.0000e+00 1.1768e-01 1.0274e-02 8.0914e-03 2.2982e-02 -6.0000e+00 1.2762e-01 -1.9318e-02 5.7671e-03 1.1422e-02 -6.0000e+00 7.6218e-02 1.2618e-03 2.9704e-03 3.2456e-03 -6.0000e+00 3.1703e-02 8.9137e-04 1.4548e-03 1.4794e-04 4.7947e-05 -6.0000e+00 2.4033e-03 5.8822e-02 5.2531e-05 12 9 9 12 1 1 99.88 22.78 0.40 0.05882 0.06975 7 20 1 5 0 574.460 26.11 20.00 22.78 17.85 21.7 965.21 -13389 -19411 1259 -24307 6648 -49135 -20969 -37991 -21063 -11725 -23493 5528 -25259 7970 -13236 4664 -9076 -1949 -2824 3343 1237 -6326 6294 1811 1797 -7613 4767 -12233 -9985 -3637 -1119 2725 -3542 -2584 -10450 -3816 -6145 -3331 1264 200 658 170 773 1717 1271 1354 866 2216 1395 1938 2005 2600 917 3340 784 2281 -1013 -689 137 -411 4208 2262 5297 1091 256 -1147 -373 -748 3164 1256 499 2410 87 485 -1580 -2503 -2688 -2354 -2026 -2046 -1503 -2665 -2518 -1268 1049 900 1406 730 1779 819 -201 -1256 -2061 20 -805 -92 303 669 46 -1251 -761 -3018 -17 -937 -1312 -1836 -1269 -443 1285 1242 935 780 517 -172 75 210 175 592 710 72 821 857 1718 522 812 -706 -297 438 271 -1065 -1498 -932 -329 78 -574 249 861 722 725 -216 56 -1334 -305 -360 -611 33 -776 146 -1861 -651 -1577 -807 -428 -1008 197 -1452 396 -954 315 -762 -163 -251 291 112 -626 569 183 193 -920 502 -1485 -1171 -418 -140 370 -556 -408 -1745 -608 -1121 -707 305 51 182 50 233 522 393 421 271 687 444 643 718 1006 387 1451 363 1072 -498 -336 65 -199 2051 1228 3054 637 151 -713 -221 -459 1890 853 367 1787 65 343 -1048 -1662 -1678 -1480 -1394 -1474 -1218 -2408 -2251 -1190 1026 939 1531 814 1936 861 -199 -1161 -1989 20 -796 -101 373 833 60 -1625 -912 -3689 -20 -1137 -1581 -2357 -1705 -625 1919 1867 1485 1255 807 -254 111 303 255 906 1072 113 1290 1315 2524 802 1191 -1006 -414 632 426 -1718 -2561 -1643 -563 140 -1098 493 1737 1386 1468 -428 105 -2467 -559 SS 20230915T121603.8Z 8658.511155 86 1 48.83 2 71.67 102.46 76.37 98.42 0.00 1 0.00 1 0 25 5.201e-02 8.890e-03 1.652e-02 1.409e-03 3.816832e-01 7.455297e-04 4.564632e-03 -6.000000e+00 3.110421e-02 229.26 -2.00 3.51 -2.00 319.67 0.00e+00 2.606954e-03 2.177908e-04 1.862038e-03 -6.000000e+00 1.403291e-03 287.82 -2.00 20.00 -2.00 318.84 0.00e+00 3.138 0.001 302.00 328.00 3 2.1425e+00 2.1658e-03 3.7570e-02 -6.0000e+00 7.7322e-02 2.1386e-03 2.5581e-03 2.1407e-02 -6.0000e+00 8.3870e-02 -2.5265e-04 1.8736e-03 1.0906e-02 -6.0000e+00 5.0086e-02 -9.6527e-03 9.5674e-04 3.2849e-03 -6.0000e+00 2.0822e-02 1.7423e-03 8.5631e-04 4.6238e-05 4.6776e-05 -6.0000e+00 1.5802e-03 6.0274e-02 -4.7700e-05 11 9 0 11 8 0 99.88 22.79 0.33 0.06027 0.06671 220 51 1 5 0 221.910 26.11 20.00 22.79 18.09 21.7 966.95 -12081 -11619 -13912 -15942 -22790 -21180 -15705 -14714 -15873 -16679 -16651 -14244 -7544 -9433 -2188 -3324 -2195 -258 2190 -1111 515 -3278 363 -979 -2123 -3358 -4369 -2315 -4343 -2545 -849 -180 -1572 -6016 -6930 -4346 -3065 -1537 294 -1443 -919 -907 -59 282 880 1179 358 520 -652 1584 2079 870 1446 1659 468 1628 -65 -517 -382 204 1934 3021 3487 2156 156 -617 -478 592 2555 1665 1026 1273 575 592 -1044 -2048 -2279 -2692 -1017 -1641 -2044 -2325 -2394 -1317 -45 453 1200 1109 1290 991 618 -359 -835 -9 -359 -227 604 969 81 -979 -1514 -1735 -365 -172 -1704 -1961 -1084 -631 706 1003 727 266 130 -290 -301 44 578 544 843 211 394 668 1175 830 656 -666 -309 770 -159 -610 -1219 -1209 -209 37 131 -33 714 707 416 -38 -244 -954 -257 -285 -300 -373 -414 -592 -535 -408 -427 -508 -561 -583 -538 -315 -482 -121 -208 -147 -18 158 -86 40 -268 30 -86 -200 -328 -426 -214 -405 -242 -88 -21 -200 -811 -921 -573 -447 -264 59 -335 -232 -242 -16 78 245 330 101 147 -189 468 658 302 535 644 191 674 -28 -220 -161 86 846 1426 1788 1184 87 -330 -245 308 1438 1053 702 893 400 391 -645 -1163 -1214 -1450 -589 -1090 -1538 -1930 -2132 -1233 -45 474 1187 1117 1407 1037 605 -327 -728 -8 -348 -246 660 1153 102 -1212 -1750 -2048 -415 -203 -1980 -2421 -1394 -855 1013 1544 1179 437 206 -435 -423 60 792 783 1284 336 629 1042 1763 1203 912 -897 -448 1148 -236 -983 -2081 -2138 -380 71 265 -69 1535 1538 901 -81 -496 -1882 -505 SS 20230915T122101.4Z 8658.514599 89 1 5.31 2 70.76 103.35 75.48 99.27 0.00 1 0.00 1 0 25 8.618e-02 1.268e-02 6.013e-02 6.150e-03 3.693267e-01 3.293342e-03 4.609597e-03 -6.000000e+00 5.248073e-02 229.25 -2.00 3.51 -2.00 318.99 0.00e+00 1.822027e-03 7.869099e-04 1.722226e-03 -6.000000e+00 2.341407e-03 287.82 -2.00 20.00 -2.00 318.21 0.00e+00 2.999 0.000 302.00 328.00 3 3.4629e+00 9.1146e-03 3.6127e-02 -6.0000e+00 1.3053e-01 -3.0356e-03 1.0528e-02 2.0960e-02 -6.0000e+00 1.4073e-01 5.6997e-03 7.4777e-03 1.0134e-02 -6.0000e+00 8.4005e-02 -1.1511e-02 3.9059e-03 2.7247e-03 -6.0000e+00 3.5908e-02 5.3504e-04 -1.8553e-04 1.9706e-04 3.4695e-05 -6.0000e+00 2.6257e-03 6.1302e-02 -2.2699e-04 12 9 9 12 1 1 99.98 22.80 0.63 0.06130 0.05991 5 13 1 5 0 884.400 26.21 20.00 22.80 18.21 21.7 967.42 -41262 -13588 5481 25261 10768 -37280 26029 -39368 20883 -37905 3263 -8454 937 -11443 7817 11901 -33 14982 -12941 9009 -7300 1107 354 3803 12966 -6154 6243 -9127 2597 -9020 -3810 -2079 -2719 715 -9382 -1175 -6783 741 -5619 233 -392 -468 -25 1310 1726 1516 2272 -3107 -770 -1211 2399 1107 3450 4541 697 3023 393 73 -4115 289 2726 4211 5282 2810 2525 -3664 -494 -2193 3195 115 1632 1372 -144 2365 -1620 -2640 -3519 -2117 -2986 -817 -2247 -1844 -1967 -1118 759 154 1613 214 609 1141 -243 -755 -1607 845 -1870 -533 -66 1055 -307 -885 -2058 -1175 465 -165 -288 -2646 -140 -1004 1067 1064 1126 1113 -79 708 -784 636 304 826 369 480 328 792 1576 430 640 -1280 -34 -342 201 -899 -1284 -851 -900 557 -315 102 537 384 785 516 -368 -1273 900000 -1809 -494 166 596 274 -1523 615 -2021 642 -2188 130 -415 49 -811 530 861 -3 1202 -1445 841 -818 115 38 426 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