File name: Pandora64s1_NewHavenCT_20250205_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250206T052505.2Z 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 v1.8.70 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250205_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: 20250205 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 20250205T131434.7Z 9167.551790 101 1 48.31 2 78.08 123.69 109.96 34.82 0.00 1 0.00 1 0 33 3.051e-01 2.779e-02 9.960e-02 5.319e-03 5.942977e-01 2.900112e-03 7.432503e-03 -6.000000e+00 1.823144e-01 224.50 -2.00 3.52 -2.00 320.55 0.00e+00 2.022073e-02 1.053871e-03 2.088380e-03 -6.000000e+00 8.040179e-03 274.93 -2.00 20.00 -2.00 320.07 0.00e+00 4.693 0.002 302.00 328.00 3 3.6331e+00 8.6578e-03 5.5984e-02 -6.0000e+00 4.5162e-01 3.8696e-01 1.0398e-02 3.3013e-02 -6.0000e+00 4.9060e-01 -4.7071e-01 8.8421e-03 2.3480e-02 -6.0000e+00 2.9063e-01 2.0831e-01 4.4805e-03 1.9666e-02 -6.0000e+00 1.2319e-01 6.0522e-05 -2.6572e-03 1.5736e-04 2.4381e-04 -6.0000e+00 9.0729e-03 2.5432e-03 -8.1607e-05 12 9 8 11 8 0 99.95 21.25 -0.05 0.00254 -0.01742 20 5 1 5 0 2414.850 25.79 20.01 21.25 2.43 37.0 927.33 -45847 -24293 25467 -11355 -207366 -68219 30076 -48997 900000 -68914 -56173 -35245 9381 1935 31014 19321 61458 70673 37336 49109 51559 59297 166933 14073 17674 -9178 -2721 1287 33906 -45146 20339 2277 27746 30939 23786 19018 20146 13194 21241 24741 22026 14426 11005 4329 12648 14544 23813 19944 17142 2246 22515 14366 20981 11881 10556 1132 4201 -3545 432 1685 3834 5734 8120 4147 11541 5376 5575 6811 2850 4890 581 1904 -1387 -1575 -2708 -3926 1449 -4068 -3127 235 -3775 -4059 -3731 -4218 -1240 -2628 -1225 -1365 254 553 -681 -668 -4710 -5238 -2843 -548 -1959 1315 1225 -72 254 -1192 -4543 -892 -1153 -2917 -2093 892 -496 581 1403 -61 346 -19 231 -1236 445 -554 964 1537 957 1274 3233 1589 1969 1288 -711 1446 2064 644 781 -80 181 -618 438 -897 -735 72 219 -448 -1027 -1574 -1162 -553 388 -229 -22421 -1906 341 -1151 900000 -1866 -1456 -903 206 57 908 707 1725 1983 1441 1726 1723 1845 1962 616 728 -494 -137 63 1270 -4103 1236 181 1931 2219 1713 1391 1589 1264 2157 2708 2645 1977 1575 686 1919 2255 3659 3160 2902 470 4227 3162 4591 2997 2715 321 1147 -1021 118 467 1121 1848 2872 1598 4178 2002 2084 2587 1252 2351 307 1007 -728 -774 -1224 -1640 587 -1744 -1534 131 -2380 -2871 -2801 -3353 -1024 -2315 -1060 -1200 227 468 -545 -506 -3625 -4312 -2596 -540 -2234 1564 1527 -88 301 -1300 -4853 -957 -1325 -3407 -2598 1154 -716 881 2273 -99 569 -29 345 -1832 667 -877 1590 2571 1577 2017 4877 2332 2901 1852 -1030 2217 3383 1130 1478 -154 365 -1328 954 -2040 -1691 167 496 -970 -2202 -3229 SS 20250205T131929.8Z 9167.555206 104 1 10.16 2 77.31 124.61 109.44 35.84 0.00 1 0.00 1 0 25 2.872e-01 1.178e-02 1.469e-01 5.437e-03 5.887871e-01 2.940256e-03 6.877363e-03 -6.000000e+00 1.714247e-01 224.50 -2.00 3.52 -2.00 320.26 0.00e+00 4.491716e-03 1.033369e-03 1.083773e-03 -6.000000e+00 7.414896e-03 274.93 -2.00 20.00 -2.00 319.76 0.00e+00 4.430 0.002 302.00 328.00 3 2.7033e+00 8.6303e-03 5.3601e-02 -6.0000e+00 4.2369e-01 7.8405e-02 1.0669e-02 3.0830e-02 -6.0000e+00 4.5979e-01 -6.6453e-02 9.9893e-03 1.7347e-02 -6.0000e+00 2.7331e-01 2.0487e-02 5.0893e-03 7.3199e-03 -6.0000e+00 1.1612e-01 2.2062e-04 -7.3526e-04 1.6189e-04 8.7129e-05 -6.0000e+00 8.5304e-03 -2.9292e-03 -4.7205e-05 12 9 9 12 1 1 79.20 21.26 0.12 -0.00293 -0.00845 9 12 1 5 0 1014.660 25.68 20.00 21.26 2.60 36.9 928.01 -120203 -41563 11452 -116782 -196423 -114144 -82238 -59220 -72723 -73191 -62945 -9198 23377 -12247 -3326 19255 6463 14229 -6326 4608 -5762 23480 -11595 5559 -7757 -6712 -30175 4381 -19270 -21698 1358 -1546 -3375 3291 -13331 1508 -5800 11143 -6533 1521 -419 4360 -952 -5422 364 6388 4127 5702 -1680 -577 4473 1808 6010 4132 3838 1387 3472 -2500 1093 3307 1257 2104 3207 3820 4837 -207 25 -277 496 1548 1482 921 1741 321 -1332 -1389 1341 -1412 -983 -36 -1015 -885 -2846 -3412 -462 -1951 1342 -244 552 434 494 -633 -1468 -578 214 181 -56 798 463 -587 117 -2386 -2172 466 -146 -1464 -541 -374 -513 169 1172 443 -48 252 -100 -22 352 339 70 620 -309 729 235 835 688 1064 -1335 795 759 471 117 -131 -769 -433 194 314 -709 263 373 -468 173 -740 -2137 -399 68 -2222 -7405 -2065 -1180 -757 -1179 -1278 -1060 -116 271 -241 -74 396 167 377 -219 151 -212 652 -461 212 -336 -300 -1715 183 -993 -1291 76 -102 -259 241 -1111 115 -542 1047 -837 208 -64 674 -163 -989 64 1091 738 1047 -330 -121 998 455 1571 1185 1146 439 1094 -825 342 1027 425 747 1260 1632 2060 -90 11 -128 245 849 864 551 999 175 -675 -674 617 -699 -531 -23 -698 -682 -2291 -2931 -414 -1870 1296 -232 536 399 424 -523 -1201 -500 207 193 -66 988 597 -740 142 -2694 -2435 535 -173 -1831 -690 -511 -743 258 1910 717 -80 396 -155 -33 544 529 115 1036 -509 1149 363 1266 1013 1509 -1916 1211 1247 823 214 -251 -1512 -873 414 670 -1552 577 803 -995 360 -1484 SS 20250205T133853.6Z 9167.568676 110 1 2.39 2 74.38 128.35 107.24 39.76 0.00 1 0.00 1 0 25 7.875e-02 7.327e-03 5.581e-02 3.540e-03 4.991678e-01 1.882494e-03 5.871924e-03 -6.000000e+00 4.700361e-02 224.50 -2.00 3.52 -2.00 319.34 0.00e+00 1.160032e-03 4.983300e-04 3.925476e-04 -6.000000e+00 2.033155e-03 274.93 -2.00 20.00 -2.00 318.80 0.00e+00 3.648 0.001 302.00 328.00 3 1.4778e+00 5.2283e-03 4.4433e-02 -6.0000e+00 1.1617e-01 2.6843e-02 6.0960e-03 2.5720e-02 -6.0000e+00 1.2607e-01 -2.8294e-03 4.9621e-03 1.3136e-02 -6.0000e+00 7.4940e-02 -8.8825e-03 2.6210e-03 4.1297e-03 -6.0000e+00 3.1838e-02 1.7740e-03 -4.7093e-04 1.0684e-04 4.8437e-05 -6.0000e+00 2.3391e-03 -2.9813e-03 -6.4569e-05 12 9 1 12 1 1 8.45 21.26 0.18 -0.00298 -0.00652 11 59 1 5 0 198.130 25.79 20.00 21.26 2.85 36.8 928.87 -19606 -24386 19354 -36650 -43544 -33564 1234 -19580 -2722 -39610 -9051 -13105 -2588 -11492 -2226 -2152 1064 4561 3053 5473 2389 -891 -672 2148 -1290 3070 2232 -3530 -972 -4181 -2203 367 -459 -282 -5972 -3305 -4317 186 -438 149 -2539 -494 -1463 -494 -603 1510 -1454 695 -1484 248 594 -1819 0 1923 232 1225 711 1134 -347 1211 543 1591 1345 3537 683 -654 927 -516 881 2159 375 558 294 689 429 -1016 -978 -2899 -1064 -127 -1382 -634 -1689 -1806 57 -1210 184 -100 1089 156 847 49 -851 3 1053 156 464 1138 497 -521 22 -1828 -1354 262 712 -1466 -407 -755 -257 202 794 -299 0 229 137 -138 416 -249 504 602 24 -528 856 6 699 501 -910 494 797 348 413 -643 -616 -504 256 -175 -183 317 307 -375 110 -329 -326 -467 274 -771 -929 -674 21 -430 -56 -1268 -224 -395 -86 -508 -108 -118 61 278 199 368 168 -60 -49 164 -108 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