File name: Pandora177s1_WestportCT_20240606_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240812T081243.5Z 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 v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240606_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: 20240606 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 20240606T151123.8Z 8923.632915 242 1 2.89 2 28.01 123.26 25.92 114.24 0.00 1 0.00 1 0 25 1.533e-02 1.169e-02 3.699e-03 2.623e-03 1.669640e-01 1.441669e-03 1.973684e-03 -6.000000e+00 9.433356e-03 232.47 -2.00 3.51 -2.00 314.77 0.00e+00 7.563917e-04 1.179821e-04 6.356440e-05 -6.000000e+00 4.129250e-04 285.81 -2.00 20.00 -2.00 314.15 0.00e+00 1.132 0.000 302.00 328.00 3 3.6424e+00 3.7151e-03 1.4327e-02 -6.0000e+00 2.3665e-02 4.0043e-02 4.0929e-03 8.6193e-03 -6.0000e+00 2.5477e-02 -8.1619e-03 2.3400e-03 4.1243e-03 -6.0000e+00 1.5147e-02 -3.9825e-03 1.0142e-03 1.1724e-03 -6.0000e+00 6.4065e-03 3.7705e-03 1.2809e-03 8.1793e-05 1.6395e-05 -6.0000e+00 4.6781e-04 7.4063e-02 -1.6575e-04 12 9 9 12 1 1 99.48 23.33 0.50 0.07406 0.08369 4 20 1 5 0 575.790 26.73 20.00 23.33 27.96 25.2 1054.67 2026 -100 -1316 -3605 -3660 -2954 1842 2129 -1059 -4024 -3989 -2854 416 1610 901 569 211 1804 1005 2541 168 1881 1315 2152 2378 1190 -768 -787 -306 110 2256 1123 898 -3892 -5212 -3797 -2493 -1034 -333 -1280 -651 -25 257 422 401 636 -767 -777 -898 282 1286 1196 966 427 699 1389 -389 -175 150 696 1933 2466 2498 1125 -1072 -1291 -860 -196 1883 889 659 805 903 1263 -297 -1553 -2098 -2593 -1662 -2151 -2089 -2682 -2762 -1385 -101 258 1177 1590 1608 1395 299 -979 -1148 -278 -120 -106 727 1289 -105 -625 -1698 -1160 -479 -700 -1427 -1914 -1132 -493 599 1280 1167 520 679 225 186 91 575 540 515 289 347 473 941 915 999 -540 63 626 -188 -362 -836 -824 -57 -49 355 -39 534 604 357 -221 -781 -1421 900000 720 -38 -482 -1237 -1148 -901 576 737 -402 -1579 -1553 -1143 178 700 431 286 109 937 539 1373 94 1023 731 1151 1317 667 -422 -437 -160 56 1179 630 519 -2145 -3008 -2197 -1479 -712 -247 -998 -537 -21 219 360 340 528 -625 -610 -690 216 1020 1001 846 363 605 1211 -346 -154 131 609 1748 2370 2395 1110 -1033 -1209 -793 -181 1743 863 682 849 938 1246 -290 -1471 -1831 -2229 -1507 -2042 -2180 -2860 -3112 -1541 -119 305 1441 1964 1950 1695 338 -1068 -1167 -296 -128 -124 870 1558 -131 -760 -2040 -1308 -536 -829 -1725 -2451 -1496 -641 809 1791 1664 731 897 288 233 110 702 697 674 380 462 650 1243 1156 1262 -656 74 746 -238 -459 -1093 -1093 -77 -66 500 -57 765 876 518 -330 -1136 -2028 900000 SS 20240606T153843.2Z 8923.651889 264 1 48.79 2 23.99 134.37 21.51 124.08 0.00 1 0.00 1 0 25 1.451e-02 1.086e-02 6.763e-04 3.881e-04 1.622190e-01 2.095615e-04 1.942092e-03 -6.000000e+00 8.930654e-03 232.48 -2.00 3.51 -2.00 315.80 0.00e+00 8.362675e-04 2.094480e-05 1.611730e-04 -6.000000e+00 3.908598e-04 285.81 -2.00 20.00 -2.00 315.08 0.00e+00 1.094 0.000 302.00 328.00 3 2.2945e+00 5.4594e-04 1.3880e-02 -6.0000e+00 2.2404e-02 3.6463e-02 6.0385e-04 8.3746e-03 -6.0000e+00 2.4117e-02 -7.8592e-03 3.4508e-04 4.0223e-03 -6.0000e+00 1.4339e-02 -5.6326e-03 1.5508e-04 1.1310e-03 -6.0000e+00 6.0664e-03 1.5242e-02 1.4753e-03 1.2336e-05 1.5371e-05 -6.0000e+00 4.4263e-04 7.2925e-02 -1.2794e-04 12 8 8 10 0 0 99.96 23.34 0.34 0.07292 0.08401 752 173 1 5 0 64.870 26.73 20.01 23.34 29.87 25.4 1069.80 1936 333 -819 -4158 -2488 -1928 1139 917 -828 -3770 -4180 -1742 -623 1042 516 -19 125 1598 1507 2059 677 669 1809 1947 1652 126 -784 -898 -102 235 1728 1688 -269 -4209 -5301 -3745 -2605 -258 -344 -931 -721 -252 111 27 748 -122 -327 -745 -719 356 1091 1130 1046 921 448 1231 184 -215 -185 522 1679 2278 2495 1358 -536 -1419 -1086 16 2227 1137 780 1181 909 1051 -436 -1311 -2350 -2333 -1339 -2133 -2421 -2769 -2767 -1314 -252 327 1081 1042 1322 1048 236 -720 -1072 58 -241 59 699 972 -13 -869 -1490 -1628 -407 -569 -1807 -1800 -1040 -650 872 1308 1103 799 471 86 -107 91 249 284 783 264 574 584 1029 680 935 -446 -80 714 -49 -368 -1064 -1018 -281 208 238 136 666 561 349 -168 -518 -1449 900000 504 91 -219 -1051 -564 -425 262 234 -228 -1075 -1187 -501 -195 358 194 -7 51 652 631 876 293 289 784 878 776 60 -362 -390 -41 94 707 733 -123 -1950 -2382 -1683 -1293 -147 -229 -628 -516 -185 82 20 548 -89 -230 -507 -525 259 749 819 790 716 357 986 149 -173 -148 420 1396 2011 2321 1297 -499 -1218 -864 13 1875 1064 779 1201 913 1006 -390 -1172 -1945 -1890 -1142 -1845 -2308 -2849 -3006 -1486 -301 414 1420 1387 1723 1302 271 -756 -1050 56 -248 66 849 1260 -18 -1132 -1815 -1873 -463 -683 -2345 -2462 -1470 -871 1207 1881 1619 1152 640 118 -136 111 309 372 1093 389 856 857 1452 921 1201 -551 -96 863 -63 -498 -1488 -1444 -407 313 377 205 1026 876 544 -258 -773 -2323 900000 SS 20240606T154359.6Z 8923.655550 267 1 43.92 2 23.30 136.86 20.72 126.35 0.00 1 0.00 1 0 25 1.488e-02 1.111e-02 3.255e-03 1.802e-03 1.632581e-01 9.777052e-04 1.951331e-03 -6.000000e+00 9.158677e-03 232.48 -2.00 3.51 -2.00 315.94 0.00e+00 8.528157e-04 9.987837e-05 1.791002e-04 -6.000000e+00 4.007995e-04 285.82 -2.00 20.00 -2.00 315.20 0.00e+00 1.088 0.000 302.00 328.00 3 4.9668e+00 2.5480e-03 1.3859e-02 -6.0000e+00 2.2976e-02 5.2968e-02 2.8193e-03 8.3867e-03 -6.0000e+00 2.4732e-02 -6.1124e-03 1.6194e-03 4.0399e-03 -6.0000e+00 1.4704e-02 -7.3795e-03 7.2760e-04 1.1561e-03 -6.0000e+00 6.2218e-03 1.0498e-03 1.5280e-03 5.7468e-05 1.5382e-05 -6.0000e+00 4.5385e-04 7.2402e-02 -1.1316e-04 12 9 9 12 9 1 99.99 23.36 0.53 0.07240 0.08388 44 12 1 5 0 975.830 26.73 20.01 23.36 30.82 25.4 1076.22 1397 629 -1074 -3879 -1928 -1589 1794 1372 -883 -3736 -4771 -1722 -579 1084 19 12 -641 1574 1242 1881 1076 389 2234 1821 2478 -145 -928 -1037 -90 -46 2181 2017 -127 -3869 -4762 -4235 -2849 -598 72 -1079 -669 -576 24 343 1083 -145 -654 -1095 -1314 395 1213 1274 1001 1123 552 1161 463 -379 -384 465 1583 2210 2454 1438 -197 -1371 -1207 -270 2443 769 814 1274 1163 1092 -307 -1740 -2246 -2348 -1173 -2068 -2460 -2887 -2496 -1326 -113 251 1172 1088 1702 1161 169 -905 -1191 127 -582 -96 687 953 -298 -746 -1660 -1715 -352 -913 -1893 -1949 -963 -611 876 1453 1151 885 342 -54 -10 -292 37 209 773 233 859 452 1138 770 718 -485 -285 599 -46 -356 -801 -762 -170 282 83 -32 753 483 301 -72 -626 -1559 900000 331 155 -261 -886 -424 -341 400 340 -238 -1040 -1330 -483 -177 364 6 4 -238 627 473 783 454 164 941 803 1127 -68 -419 -441 -36 -18 867 852 -56 -1744 -2077 -1866 -1382 -334 43 -725 -477 -423 18 252 787 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