File name: Pandora64s1_NewHavenCT_20230913_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230915T061203.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230913_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230913 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20230913T141430.2Z 8656.593405 205 1 48.16 2 50.83 127.13 35.60 134.87 0.00 1 0.00 1 0 17 1.637e-02 8.873e-03 2.227e-03 1.265e-03 2.042940e-01 6.847699e-04 2.499760e-03 -6.000000e+00 9.965218e-03 229.41 -2.00 3.52 -2.00 315.72 0.00e+00 4.371562e-04 6.917015e-05 6.859246e-05 -6.000000e+00 4.460630e-04 287.83 -2.00 20.00 -2.00 314.99 0.00e+00 1.580 0.000 302.00 328.00 3 4.9440e+00 1.7700e-03 1.9077e-02 -6.0000e+00 2.4804e-02 1.8403e-02 1.9623e-03 1.0642e-02 -6.0000e+00 2.6751e-02 -1.2473e-03 1.1259e-03 5.1926e-03 -6.0000e+00 1.5963e-02 -2.1687e-03 5.0938e-04 1.4550e-03 -6.0000e+00 6.8062e-03 6.2072e-04 -3.1817e-05 3.8970e-05 1.9728e-05 -6.0000e+00 4.8671e-04 -8.6584e-03 6.8953e-05 11 8 0 10 0 0 99.08 21.76 0.07 -0.00866 -0.00890 26 6 1 5 0 1852.120 26.21 19.98 21.76 29.43 38.6 1041.79 2097 -1158 1428 -2560 -13872 -2058 420 -272 2230 212 -3249 -1179 878 -827 1217 902 -433 1542 833 2104 1689 448 1324 1522 786 829 215 -1407 -725 -736 1849 386 2233 665 -4487 -1704 -1934 -950 391 95 -1032 -1101 -275 -1114 -684 189 -868 -59 -1000 -1245 1054 1435 744 1350 59 585 1143 580 297 591 407 1340 1243 2264 993 -1463 -268 -1132 561 1648 592 456 -165 554 111 -915 -270 -1953 -1079 -246 -1331 -888 -2210 -2013 -392 -514 239 283 870 227 202 306 -947 -340 737 294 -93 1076 710 -486 -271 -1527 -1837 62 344 -1623 -283 -290 -151 619 862 398 246 147 -170 -367 618 -393 541 435 -157 -222 734 196 978 1108 -716 754 1036 382 539 -511 -599 -327 295 -46 -374 348 -65 -498 -193 -777 501 -297 356 -601 -3320 -437 93 -67 582 58 -898 -337 275 -278 445 353 -175 602 336 865 700 186 566 679 365 393 100 -616 -316 -321 786 174 1058 315 -2094 -805 -1021 -550 251 66 -767 -810 -206 -837 -510 145 -651 -43 -716 -906 794 1086 592 1117 50 483 948 479 253 509 352 1230 1164 2174 923 -1330 -230 -969 516 1600 592 469 -168 558 103 -809 -229 -1638 -963 -233 -1342 -935 -2383 -2286 -455 -633 295 355 1073 275 235 339 -983 -351 804 339 -113 1362 921 -614 -333 -1778 -2186 75 427 -2133 -374 -398 -211 899 1247 568 345 197 -218 -456 774 -520 737 602 -220 -307 1013 257 1263 1414 -893 956 1340 505 739 -719 -837 -476 438 -70 -574 542 -102 -756 -294 -1155 SS 20230913T162524.3Z 8656.684309 286 1 48.38 2 37.92 170.97 29.23 194.34 0.00 1 0.00 1 0 17 2.367e-02 1.006e-02 6.951e-03 3.494e-03 1.684967e-01 1.876438e-03 2.077233e-03 -6.000000e+00 1.441740e-02 229.40 -2.00 3.52 -2.00 316.33 0.00e+00 3.802759e-04 2.144400e-04 5.739210e-05 -6.000000e+00 6.451455e-04 287.82 -2.00 20.00 -2.00 315.55 0.00e+00 1.267 0.000 302.00 328.00 3 6.0442e+00 4.8906e-03 1.5474e-02 -6.0000e+00 3.5886e-02 1.5348e-02 5.4407e-03 8.8295e-03 -6.0000e+00 3.8697e-02 1.4073e-02 3.1257e-03 4.3146e-03 -6.0000e+00 2.3092e-02 -1.0703e-02 1.4316e-03 1.2220e-03 -6.0000e+00 9.8499e-03 3.0004e-04 4.1070e-04 1.1063e-04 1.6280e-05 -6.0000e+00 7.0361e-04 -9.4258e-03 1.5343e-04 12 9 8 11 8 0 99.99 21.78 0.85 -0.00943 -0.00634 325 78 1 5 0 148.840 26.21 19.98 21.78 33.89 38.8 1064.67 -2986 3113 821 2035 -22100 3286 -1517 3882 2044 4337 -5021 3074 -1430 935 614 1697 -1235 3204 -213 1103 1104 788 981 1009 411 934 -214 -499 515 -1341 2372 -184 3560 429 -1742 -1919 -41 -1409 284 -601 -648 -2210 66 -2905 21 -937 101 -1148 -476 -2527 2189 1412 1644 607 1056 -336 1653 42 1309 -361 1055 881 1731 1364 1335 -1832 10 -1490 1031 1177 471 -51 -164 524 692 -568 959 -2046 -402 310 -1037 -837 -2069 -1984 -705 -491 20 -53 624 824 -219 1177 -1214 585 383 975 -217 1435 494 16 -1277 -1202 -2909 410 -289 -820 -813 -32 -593 459 487 512 -221 492 -767 87 138 14 147 590 -67 130 6 593 906 1295 -540 1090 926 826 310 -600 -810 -341 607 38 -182 181 376 -806 -140 -847 -676 685 184 406 -5094 585 -302 809 469 992 -1226 724 -390 275 200 578 -405 1127 -73 385 420 297 381 377 160 367 -90 -194 187 -491 875 -72 1432 175 -676 -775 -18 -675 158 -378 -432 -1543 46 -2080 14 -647 67 -744 -298 -1625 1415 966 1168 454 795 -261 1271 33 988 -281 843 754 1552 1266 1180 -1521 8 -1152 846 1071 458 -51 -162 494 600 -449 744 -1582 -327 256 -950 -832 -2182 -2203 -833 -614 25 -70 812 1011 -249 1211 -1178 554 387 1066 -262 1842 653 20 -1558 -1372 -3325 484 -369 -1092 -1139 -46 -898 720 784 806 -331 675 -983 106 171 18 206 866 -100 190 9 801 1165 1582 -644 1313 1179 1100 430 -850 -1175 -514 962 63 -308 311 644 -1357 -229 -1357 SS 20230913T163426.0Z 8656.690579 292 1 4.89 2 37.71 174.63 29.74 198.62 0.00 1 0.00 1 0 17 1.217e-02 9.484e-03 5.567e-03 3.938e-03 1.636373e-01 2.152264e-03 1.995387e-03 -6.000000e+00 7.408517e-03 229.40 -2.00 3.52 -2.00 314.77 0.00e+00 4.414701e-04 1.798639e-04 1.944510e-05 -6.000000e+00 3.316529e-04 287.82 -2.00 20.00 -2.00 314.13 0.00e+00 1.263 0.000 302.00 328.00 3 4.9511e+00 5.5143e-03 1.5239e-02 -6.0000e+00 1.8440e-02 3.2479e-02 6.0831e-03 8.4903e-03 -6.0000e+00 1.9889e-02 4.1478e-03 3.4867e-03 4.1311e-03 -6.0000e+00 1.1869e-02 -6.6443e-03 1.5270e-03 1.1700e-03 -6.0000e+00 5.0589e-03 9.0614e-04 -3.1101e-04 1.2067e-04 1.6829e-05 -6.0000e+00 3.6204e-04 -8.0383e-03 2.0766e-05 12 9 9 12 1 1 999.00 21.77 0.05 -0.00804 -0.01038 2 7 1 5 0 1629.160 26.21 20.01 21.77 34.00 38.7 1064.74 1832 -2139 1374 -2863 -2972 -439 65 1016 2445 -245 -3958 -1901 1093 -1191 -89 1269 -521 493 906 2908 447 74 648 1026 -356 1040 377 -718 -65 -647 1506 433 2529 676 -4532 -2075 -1459 -1553 -330 -73 -1192 -204 -1203 -119 -1370 46 -1377 574 -2114 -341 1175 1506 691 2081 974 1975 1046 1283 -257 659 638 851 604 2287 -193 -1853 -244 -1576 506 1738 119 -33 -775 937 535 -845 -519 -1465 -1285 -485 -1216 -783 -1705 -1689 -321 -273 151 154 567 65 489 377 -1018 408 1392 465 -524 1646 763 -424 -183 -1799 -1580 30 550 -1498 -34 -367 -351 -34 939 387 360 161 -192 -671 403 -1058 930 705 -28 -79 1212 -197 1315 627 -784 336 1067 377 754 -1344 -679 -683 414 36 -478 259 299 -199 -74 -681 655 -783 505 -987 -930 -140 21 357 913 -91 -1485 -730 450 -529 -43 639 -259 250 467 1515 239 39 353 579 -201 590 218 -387 -34 -339 807 232 1414 377 -2482 -1151 -859 -1021 -243 -58 -976 -171 -1038 -101 -1173 38 -1121 460 -1688 -269 962 1245 599 1851 855 1746 942 1140 -229 590 596 819 596 2286 -194 -1781 -218 -1409 483 1757 126 -35 -806 949 518 -771 -450 -1281 -1155 -463 -1240 -837 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