File name: Pandora177s1_WestportCT_20230915_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T142444.8Z 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: 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_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230915_L1_smca1c5d20230401p1-8.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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 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 7.963e-02 1.292e-02 4.841e-02 4.747e-03 4.026569e-01 2.513958e-03 5.099962e-03 -6.000000e+00 4.781057e-02 229.26 -2.00 3.51 -2.00 319.18 0.00e+00 2.082942e-03 6.399755e-04 2.200169e-03 -6.000000e+00 2.134327e-03 287.82 -2.00 20.00 -2.00 318.41 0.00e+00 3.302 0.001 302.00 328.00 3 2.7315e+00 7.0250e-03 3.9911e-02 -6.0000e+00 1.1896e-01 1.3018e-02 8.1650e-03 2.3652e-02 -6.0000e+00 1.2831e-01 -1.5752e-02 5.9427e-03 1.1314e-02 -6.0000e+00 7.6574e-02 6.1381e-04 3.1136e-03 2.9810e-03 -6.0000e+00 3.2857e-02 7.9336e-04 1.5191e-04 1.4506e-04 3.9986e-05 -6.0000e+00 2.3437e-03 7.9528e-05 0.0000e+00 12 9 9 12 1 1 99.88 22.78 0.40 0.00008 0.00122 7 20 1 5 0 574.460 26.11 20.00 22.78 17.85 21.7 965.21 -13332 -19095 1796 -24058 6356 -49660 -21320 -37760 -20352 -11009 -23390 5147 -25731 7583 -13487 5119 -8929 -2399 -3251 3020 885 -6390 5869 2122 2000 -6754 5641 -11938 -10191 -4202 -1256 2409 -3232 -2363 -10940 -4704 -6872 -3808 1388 531 1112 491 1031 1967 1406 1439 798 2129 1072 1481 1711 2358 862 3351 833 2415 -662 -501 175 -645 3846 2100 5498 1561 541 -1340 -917 -1485 2798 1367 789 2769 503 838 -1418 -2648 -3136 -3062 -2514 -2189 -1518 -2561 -2545 -1429 1039 1030 1682 1047 2152 1115 -131 -1474 -2598 -546 -1178 -263 358 1016 512 -935 -813 -3511 -620 -1162 -1198 -1780 -1288 -570 1241 1416 1301 1140 732 -209 -269 -275 -211 438 878 366 1057 971 1816 596 821 -893 -819 43 227 -938 -1382 -1024 -549 -65 -531 322 921 862 889 -152 -55 -1658 -364 -610 47 -780 141 -1908 -671 -1591 -791 -408 -1018 186 -1501 383 -986 348 -756 -203 -293 267 82 -639 538 216 218 -825 601 -1464 -1208 -488 -158 331 -512 -376 -1843 -756 -1263 -814 337 149 309 145 313 602 437 451 251 664 343 494 615 918 366 1462 387 1140 -327 -245 84 -313 1881 1143 3177 996 348 -835 -545 -913 1825 929 581 2055 376 591 -1026 -1759 -1955 -1924 -1728 -1575 -1229 -2310 -2460 -1339 1014 1073 1826 1165 2334 1168 -130 -1471 -2497 -527 -1255 -289 438 1260 668 -1208 -1045 -4267 -712 -1401 -1545 -2270 -1717 -799 1841 2266 2051 1819 1134 -328 -397 -392 -306 664 1408 572 1646 1579 2830 906 1193 -1259 -1130 61 353 -1497 -2336 -1784 -991 -123 -1004 629 1833 1736 1778 -297 -104 -3227 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 5.153e-02 1.016e-02 1.697e-02 1.425e-03 3.792866e-01 7.638294e-04 4.704684e-03 -6.000000e+00 3.093801e-02 229.26 -2.00 3.51 -2.00 319.54 0.00e+00 2.312881e-03 2.133891e-04 1.949896e-03 -6.000000e+00 1.381188e-03 287.82 -2.00 20.00 -2.00 318.77 0.00e+00 3.138 0.001 302.00 328.00 3 2.2479e+00 2.1770e-03 3.7758e-02 -6.0000e+00 7.6978e-02 4.9037e-03 2.5606e-03 2.2012e-02 -6.0000e+00 8.3030e-02 1.7080e-03 1.9255e-03 1.0941e-02 -6.0000e+00 4.9551e-02 -9.0866e-03 1.0017e-03 3.0785e-03 -6.0000e+00 2.1261e-02 1.5518e-03 9.0117e-05 4.5078e-05 4.0223e-05 -6.0000e+00 1.5167e-03 4.2141e-04 0.0000e+00 12 9 8 11 8 0 99.88 22.79 0.33 0.00042 0.00110 220 51 1 5 0 221.910 26.11 20.00 22.79 18.09 21.7 966.95 -11703 -10756 -12696 -15540 -22978 -21278 -15750 -14084 -15059 -15789 -16365 -14758 -7995 -9464 -2165 -3061 -2210 -270 2053 -1031 751 -3361 456 -760 -1657 -2418 -3447 -1943 -4317 -3041 -1191 -300 -1289 -5622 -7237 -5158 -3992 -2176 275 -1210 -579 -646 251 490 1014 1293 389 433 -956 1163 1742 667 1340 1666 491 1774 150 -353 -440 -68 1583 2826 3613 2581 530 -736 -1022 -219 2052 1684 1273 1619 919 953 -814 -2162 -2787 -3460 -1612 -1888 -2105 -2288 -2474 -1520 -116 528 1421 1415 1639 1270 708 -554 -1386 -590 -769 -418 642 1301 554 -665 -1550 -2208 -953 -381 -1564 -1875 -1082 -735 692 1189 1101 641 334 -344 -638 -443 195 399 1011 515 656 814 1301 911 667 -841 -783 414 -172 -460 -1109 -1295 -421 -93 173 43 763 842 570 -3 -389 -1299 -259 -260 -318 -379 -560 -553 -420 -419 -496 -546 -589 -574 -343 -496 -123 -197 -152 -19 152 -82 60 -281 38 -68 -160 -242 -344 -184 -411 -296 -127 -36 -168 -774 -982 -695 -594 -381 56 -287 -149 -176 70 138 288 368 112 124 -281 350 561 236 504 657 204 747 65 -153 -188 -29 703 1354 1881 1438 300 -400 -531 -116 1171 1080 883 1150 647 637 -509 -1242 -1502 -1885 -945 -1268 -1602 -1919 -2226 -1438 -115 557 1562 1439 1804 1342 699 -509 -1219 -526 -751 -456 777 1560 699 -829 -1984 -2624 -1091 -453 -2012 -2327 -1399 -1001 998 1838 1793 1058 533 -518 -901 -603 268 577 1545 823 1053 1272 1955 1324 1023 -1249 -1136 617 -255 -742 -1896 -2289 -768 -179 350 90 1640 1829 1235 -7 -789 -2560 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 17 8.686e-02 1.365e-02 5.978e-02 6.176e-03 3.666377e-01 3.275916e-03 4.603909e-03 -6.000000e+00 5.213153e-02 229.25 -2.00 3.51 -2.00 319.01 0.00e+00 1.662506e-03 7.850635e-04 1.782408e-03 -6.000000e+00 2.328168e-03 287.82 -2.00 20.00 -2.00 318.22 0.00e+00 2.999 0.000 302.00 328.00 3 3.5679e+00 9.0694e-03 3.6115e-02 -6.0000e+00 1.2971e-01 5.6006e-04 1.0478e-02 2.1064e-02 -6.0000e+00 1.3992e-01 9.1811e-03 7.4802e-03 1.0052e-02 -6.0000e+00 8.3502e-02 -1.2578e-02 3.9263e-03 2.6688e-03 -6.0000e+00 3.5817e-02 4.8220e-04 -3.0384e-04 1.9164e-04 3.2477e-05 -6.0000e+00 2.5566e-03 2.4076e-03 0.0000e+00 12 9 9 12 1 1 99.98 22.80 0.63 0.00241 0.00012 5 13 1 5 0 884.400 26.21 20.00 22.80 18.21 21.7 967.42 -41546 -13191 6531 24921 11277 -37885 25945 -39843 21429 -37241 2887 -8847 334 -12222 7381 11566 -221 14883 -13048 8905 -7265 1005 125 3660 13168 -5607 7052 -8946 2514 -9483 -4312 -2220 -2507 1214 -9704 -2199 -7882 -92 -5773 288 -194 -293 228 1482 1842 1738 2290 -3146 -1033 -1626 2073 975 3373 4546 746 3132 579 267 -4159 12 2333 4018 5408 3288 2959 -3698 -984 -2984 2675 135 1855 1757 230 2744 -1309 -2722 -3983 -2860 -3581 -1075 -2300 -1801 -2047 -1311 674 229 1837 526 974 1448 -173 -965 -2133 253 -2284 -706 -13 1388 152 -595 -2107 -1693 -128 -411 -151 -2568 -148 -1100 1057 1244 1481 1454 73 574 -1204 108 -103 670 514 766 566 906 1665 480 600 -1515 -514 -658 233 -706 -1140 -925 -1094 461 -228 215 617 537 937 556 -503 -1585 -1814 -477 197 591 284 -1540 646 -2039 697 -2130 122 -430 17 -860 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