File name: Pandora177s1_WestportCT_20231122_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20231123T050336.3Z 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_20231122_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: 20231122 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 20231122T141207.5Z 8726.591753 167 1 17.38 2 70.15 143.25 137.67 32.94 0.00 1 0.00 1 0 17 1.259e-01 1.461e-02 8.696e-02 8.736e-03 3.612452e-01 4.484676e-03 4.547114e-03 -6.000000e+00 7.356745e-02 223.10 -2.00 3.51 -2.00 319.29 0.00e+00 5.230170e-03 1.154154e-03 1.805025e-03 -6.000000e+00 3.283994e-03 279.59 -2.00 20.00 -2.00 318.62 0.00e+00 2.914 0.000 302.00 328.00 3 4.7717e+00 1.2476e-02 3.4395e-02 -6.0000e+00 1.8080e-01 6.6739e-02 1.4518e-02 1.8552e-02 -6.0000e+00 1.9729e-01 -1.4810e-02 1.0447e-02 1.1198e-02 -6.0000e+00 1.1780e-01 -3.8082e-03 5.3876e-03 5.3293e-03 -6.0000e+00 4.9177e-02 1.5481e-04 3.5935e-04 2.8302e-04 6.8178e-05 -6.0000e+00 3.8191e-03 5.9785e-02 -1.6679e-04 12 9 9 12 9 1 99.96 22.96 0.20 0.05979 0.06249 4 3 1 5 0 3475.470 26.32 20.01 22.96 13.13 22.2 939.70 -38478 -62069 72643 6057 -23649 -38152 -25496 -1084 -41918 50287 -31762 -2054 -21560 -19551 -5928 12895 -1012 -14107 16813 -21 17814 10060 10206 139 5176 -234 -428 -9804 684 9961 -10885 10921 3749 -239 1 -3910 4259 1884 -4709 -967 -3353 -3340 5054 1839 546 1654 -1593 2521 -3086 3519 1416 1113 4624 -275 5286 -352 407 -1358 527 -2895 1062 1265 3008 2072 -57 1241 -5 1905 3905 4287 2170 771 -90 658 639 -2178 -1119 -2102 -2649 -6663 -2524 -2525 -3838 -734 541 -388 1142 853 404 633 281 -616 -1932 -474 555 48 783 1333 387 -941 -2055 -2422 -1250 1683 -1646 -1607 -2289 -293 619 1749 2059 -160 -117 -184 -63 -1308 1782 -371 1498 773 65 774 1691 1832 294 111 -646 546 -539 -1316 -792 -1533 -491 823 -340 -626 835 974 661 200 -562 -1093 -127 -1639 -3671 1199 184 -894 -1625 -1018 -38 -2344 1151 -1708 -91 -1378 -1478 -458 920 -89 -1510 1388 -2 1527 932 962 15 562 -27 -49 -1206 75 1040 -1553 1407 559 -37 0 -625 696 373 -1174 -263 -1014 -1065 1531 586 179 540 -537 815 -1066 1182 520 443 1891 -124 2314 -167 192 -646 244 -1401 521 676 1723 1263 -36 719 -3 1069 2356 2860 1585 585 -68 465 416 -1323 -629 -1199 -1659 -4935 -2018 -2213 -3642 -673 521 -402 1220 928 434 650 285 -582 -1754 -432 545 53 902 1666 509 -1225 -2506 -2741 -1447 1966 -1992 -2057 -3097 -410 920 2757 3390 -271 -190 -281 -90 -1827 2444 -546 2295 1239 106 1218 2549 2652 414 149 -857 743 -802 -2131 -1340 -2697 -887 1545 -643 -1236 1663 1957 1323 390 -1121 -2116 -244 SS 20231122T142950.2Z 8726.604053 176 1 3.04 2 68.25 147.21 135.74 38.43 0.00 1 0.00 1 0 17 4.865e-02 1.146e-02 3.158e-02 6.021e-03 3.373518e-01 3.076846e-03 4.011652e-03 -6.000000e+00 2.840891e-02 223.10 -2.00 3.51 -2.00 318.18 0.00e+00 2.523045e-03 5.795834e-04 6.051555e-04 -6.000000e+00 1.268562e-03 279.58 -2.00 20.00 -2.00 317.50 0.00e+00 2.675 0.000 302.00 328.00 3 3.2925e+00 8.1955e-03 3.1497e-02 -6.0000e+00 6.9819e-02 2.4315e-02 9.3351e-03 1.6889e-02 -6.0000e+00 7.6191e-02 3.2593e-03 6.0398e-03 8.6149e-03 -6.0000e+00 4.5492e-02 -7.2230e-03 3.0809e-03 2.9719e-03 -6.0000e+00 1.8987e-02 9.0405e-04 -8.4688e-04 1.8984e-04 3.2413e-05 -6.0000e+00 1.4752e-03 6.0524e-02 -2.0492e-04 12 9 9 12 1 1 999.00 22.97 0.48 0.06052 0.05416 2 11 1 5 0 1011.430 26.32 20.05 22.97 13.22 22.2 940.30 -4840 20186 -10496 2144 -9329 -7701 -33056 -7026 -8487 -12950 -8257 -9596 10779 -10252 6431 -4559 12763 -457 -1152 1994 2307 4753 -1706 4862 -3393 -283 -8231 -3101 3454 4338 2237 -322 5196 -7655 -6997 -4036 -5735 271 1119 860 -2770 2158 380 1203 -897 1099 -1268 852 1881 -2347 1257 493 3019 734 791 1555 -383 356 -1486 1014 1325 3777 2733 1441 -958 19 -837 712 2728 1744 1339 738 293 -368 -949 -2050 -1749 -2554 -1475 -1757 -2578 -2381 -2824 -1059 412 -303 1137 747 1302 854 597 -520 -555 498 -218 -428 59 701 71 -985 -1502 -1242 359 620 -2211 -2048 -1219 -241 532 678 1604 88 1299 -243 -807 328 22 353 962 -103 845 601 735 794 1142 -694 582 672 -480 -1069 -532 -1208 -91 440 -460 223 825 620 327 -104 -539 -762 -449 -282 1000 -713 121 -548 -435 -2584 -474 -632 -1046 -655 -838 894 -1245 765 -669 1686 -73 -182 337 371 797 -295 883 -666 -55 -1703 -588 636 812 467 -72 1186 -2007 -1772 -1002 -1607 85 388 340 -1239 968 179 569 -414 526 -617 404 887 -1130 623 265 1690 440 490 930 -236 216 -907 640 831 2509 1994 1068 -722 14 -595 506 2076 1418 1175 639 251 -317 -759 -1578 -1247 -1827 -1129 -1454 -2307 -2333 -2842 -1110 453 -342 1330 893 1527 963 655 -531 -558 502 -228 -480 73 906 93 -1324 -1885 -1500 415 743 -2789 -2730 -1626 -335 784 1028 2521 136 1986 -353 -1144 460 30 504 1449 -157 1291 902 1105 1148 1575 -967 780 928 -694 -1614 -839 -1976 -147 743 -798 400 1510 1111 585 -189 -940 -1331 -780 SS 20231122T144309.9Z 8726.613309 183 1 7.24 2 66.95 150.28 134.13 42.31 0.00 1 0.00 1 0 17 2.393e-02 1.025e-02 7.858e-03 1.724e-03 3.224382e-01 8.829617e-04 3.790053e-03 -6.000000e+00 1.399105e-02 223.10 -2.00 3.51 -2.00 318.00 0.00e+00 2.122534e-03 1.566846e-04 6.122030e-04 -6.000000e+00 6.235797e-04 279.58 -2.00 20.00 -2.00 317.31 0.00e+00 2.534 0.000 302.00 328.00 3 2.1833e+00 2.3424e-03 2.9827e-02 -6.0000e+00 3.4388e-02 2.1122e-02 2.6623e-03 1.5941e-02 -6.0000e+00 3.7509e-02 1.0698e-04 1.6793e-03 8.1279e-03 -6.0000e+00 2.2398e-02 -6.6844e-03 8.4649e-04 2.8045e-03 -6.0000e+00 9.3601e-03 3.2223e-03 9.7707e-04 5.4480e-05 3.0308e-05 -6.0000e+00 7.2539e-04 5.7395e-02 5.1795e-05 12 9 9 12 1 1 99.97 22.96 0.36 0.05740 0.06474 28 45 1 5 0 249.590 26.32 20.05 22.96 13.36 22.2 941.22 -2925 -428 -2187 -8549 -5765 -8596 -3818 -4937 -5333 -10678 -8722 -5240 -5926 -1547 -922 -601 -665 2235 1791 1985 1502 991 1498 686 650 -1118 -2599 -2230 -1800 -813 1211 836 555 -4614 -6288 -4141 -3460 -424 221 -492 -1023 -876 194 -164 933 737 813 246 181 930 1765 876 1570 1410 879 1451 117 -715 105 543 1974 2623 2675 1459 -206 -947 -270 118 2440 1527 564 1231 465 889 -636 -1213 -2168 -2673 -1370 -2337 -2525 -2599 -2976 -1496 -416 273 1125 986 1243 1018 474 -498 -1197 -34 -198 362 550 964 -146 -860 -1675 -1457 -156 -194 -1664 -1908 -996 -732 728 1113 1087 402 134 68 34 258 648 646 998 184 406 820 1259 678 810 -461 -348 891 -172 -447 -1255 -1338 -265 250 92 52 600 502 517 -107 -376 -1140 -341 -197 -31 -160 -628 -381 -571 -259 -380 -448 -980 -805 -505 -665 -196 -134 -96 -113 388 326 374 288 192 296 145 145 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