File name: Pandora64s1_NewHavenCT_20250404_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250405T053347.1Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250404_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: 20250404 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 20250404T132410.7Z 9225.558457 166 1 48.53 2 58.53 112.13 101.29 36.60 0.00 1 0.00 1 0 17 1.331e-02 7.685e-03 1.654e-03 6.966e-04 2.635044e-01 3.729849e-04 3.188269e-03 -6.000000e+00 8.042590e-03 227.68 -2.00 3.52 -2.00 316.61 0.00e+00 4.973228e-04 4.480281e-05 7.059811e-05 -6.000000e+00 3.493248e-04 278.92 -2.00 20.00 -2.00 315.98 0.00e+00 1.908 0.000 302.00 328.00 3 3.3755e+00 9.7100e-04 2.3464e-02 -6.0000e+00 1.9998e-02 2.1214e-02 1.0810e-03 1.3563e-02 -6.0000e+00 2.1635e-02 -5.5153e-03 6.3314e-04 6.6675e-03 -6.0000e+00 1.2858e-02 -2.2649e-03 2.9880e-04 1.9048e-03 -6.0000e+00 5.4491e-03 1.9420e-03 2.8603e-05 2.1606e-05 2.4152e-05 -6.0000e+00 3.9563e-04 -3.6948e-03 3.8374e-05 11 8 0 10 0 0 99.94 21.52 0.16 -0.00369 -0.00348 118 28 1 5 0 411.180 25.90 19.99 21.52 24.84 40.4 1035.68 333 -813 -566 -3310 -9301 -1966 -811 265 984 -716 -3937 -2246 -380 -729 1107 532 -257 1364 432 1882 1491 -61 1343 552 609 897 255 -1331 -597 -508 1884 102 2345 -333 -3914 -2291 -1688 -1306 341 120 -771 -1067 -242 -1018 -225 21 -213 -219 -584 -338 1383 941 835 1335 311 902 1208 598 263 480 639 1321 1187 1962 585 -1376 -422 -1482 649 1522 225 390 -287 398 55 -618 -756 -1937 -602 -366 -1274 -768 -2066 -1998 -494 -449 126 304 765 510 268 400 -699 55 769 497 -221 1117 548 -364 -474 -1390 -1674 260 326 -1351 -301 -655 -345 334 769 340 156 139 -205 -143 602 -186 619 496 -30 -223 717 -2 1014 768 -798 606 982 258 558 -544 -603 -415 492 -76 -479 357 186 -542 1 -698 49 -128 -89 -530 -1456 -289 -127 46 168 -128 -722 -438 -83 -181 304 158 -73 402 133 590 472 -20 443 193 221 333 93 -460 -196 -170 663 39 941 -135 -1553 -939 -716 -646 183 73 -505 -682 -158 -667 -146 14 -134 -145 -384 -227 917 664 620 1036 234 689 930 458 200 368 513 1135 1030 1761 511 -1200 -351 -1251 558 1442 217 384 -279 386 49 -533 -609 -1557 -520 -333 -1228 -805 -2194 -2241 -560 -538 157 383 947 597 305 441 -730 58 823 587 -275 1426 718 -463 -594 -1637 -1941 315 423 -1769 -412 -897 -498 486 1154 505 221 191 -275 -186 791 -258 872 728 -44 -324 1007 -3 1351 980 -1047 779 1345 360 810 -814 -892 -641 768 -124 -797 578 311 -882 1 -1116 SS 20250404T135359.7Z 9225.579163 184 1 6.18 2 53.47 118.67 97.92 41.98 0.00 1 0.00 1 0 17 2.051e-02 9.828e-03 9.396e-03 4.684e-03 2.379596e-01 2.511930e-03 2.876728e-03 -6.000000e+00 1.238882e-02 227.69 -2.00 3.52 -2.00 316.14 0.00e+00 3.624085e-04 2.710242e-04 7.838448e-05 -6.000000e+00 5.382077e-04 278.93 -2.00 20.00 -2.00 315.53 0.00e+00 1.675 0.000 302.00 328.00 3 4.9426e+00 6.5046e-03 2.0785e-02 -6.0000e+00 3.0804e-02 4.5323e-02 7.2303e-03 1.2186e-02 -6.0000e+00 3.3331e-02 -1.4854e-02 4.1828e-03 5.9921e-03 -6.0000e+00 1.9810e-02 4.3350e-04 1.9269e-03 1.6924e-03 -6.0000e+00 8.3910e-03 5.2763e-04 -1.4535e-04 1.4497e-04 2.2177e-05 -6.0000e+00 6.0972e-04 -2.5197e-03 -3.9437e-05 12 9 9 12 1 1 999.00 21.51 -0.01 -0.00252 -0.00361 2 6 1 5 0 2056.950 25.90 20.00 21.51 24.74 40.3 1034.55 724 2642 1492 -5083 -17736 -2767 -637 186 3159 1846 -5184 -1887 1567 726 -250 164 -765 2641 1159 3550 815 -1235 -298 -957 -195 1373 99 -213 527 -831 1843 -115 3757 797 -3463 -1986 -2184 -429 123 688 -1574 -666 782 -1252 -294 372 -205 -1343 1675 -658 1038 1188 381 734 410 1016 476 268 226 853 355 2425 1509 1733 474 -1180 -767 -2055 352 1182 177 980 153 419 -464 -2008 -817 -2641 37 -601 -1919 -1452 -1655 -2128 -778 -268 102 -192 1267 849 698 1381 -1490 -714 658 1554 7 1535 140 -724 -825 -1190 -1953 -13 1096 -1366 -175 -359 -189 873 795 -477 225 528 172 -19 534 188 542 850 112 -74 468 -225 149 1079 -1014 60 768 -454 771 -342 -913 -166 524 55 -867 821 165 -516 -10 -681 141 526 299 -982 -3573 -511 -124 38 673 407 -1210 -458 414 206 -80 56 -270 942 431 1269 300 -461 -115 -389 -81 577 41 -82 202 -327 717 -48 1622 347 -1480 -877 -1033 -233 75 450 -1072 -465 552 -897 -209 260 -145 -945 1125 -463 733 884 289 579 329 828 394 219 182 693 304 2104 1355 1610 442 -1029 -664 -1802 320 1137 175 987 152 410 -436 -1731 -672 -2175 32 -566 -1946 -1544 -1788 -2362 -918 -322 128 -236 1564 1023 803 1500 -1555 -747 707 1755 8 1940 183 -913 -1011 -1409 -2293 -15 1382 -1778 -237 -493 -265 1279 1168 -697 319 711 223 -24 701 252 752 1191 159 -107 650 -307 195 1371 -1269 77 1013 -620 1083 -494 -1324 -250 809 86 -1393 1321 264 -807 -15 -1036 SS 20250404T140651.7Z 9225.588098 191 1 13.53 2 51.37 121.73 96.35 44.20 0.00 1 0.00 1 0 17 1.123e-02 8.050e-03 1.062e-03 6.164e-04 2.220223e-01 3.321891e-04 2.699224e-03 -6.000000e+00 6.785001e-03 227.69 -2.00 3.52 -2.00 315.64 0.00e+00 4.162601e-04 3.221029e-05 4.177338e-05 -6.000000e+00 2.947294e-04 278.93 -2.00 20.00 -2.00 315.06 0.00e+00 1.598 0.000 302.00 328.00 3 2.2910e+00 8.5593e-04 1.9675e-02 -6.0000e+00 1.6871e-02 1.7032e-02 9.4968e-04 1.1381e-02 -6.0000e+00 1.8253e-02 -3.5069e-03 5.4528e-04 5.5929e-03 -6.0000e+00 1.0848e-02 -2.1129e-03 2.4525e-04 1.5883e-03 -6.0000e+00 4.5965e-03 8.3707e-03 -7.3062e-05 1.8997e-05 2.1249e-05 -6.0000e+00 3.3384e-04 -3.3371e-03 3.8959e-06 12 9 1 12 1 1 99.15 21.51 0.19 -0.00334 -0.00389 94 82 1 5 0 142.260 25.90 20.00 21.51 25.37 40.6 1038.74 771 -804 18 -3422 -4778 -1666 -453 812 1343 -13 -3463 -1816 -229 -184 899 470 -790 959 685 2021 1173 -359 1001 950 526 1119 548 -951 -462 181 1727 145 2153 -28 -4414 -1869 -1491 -935 317 14 -1156 -1082 -343 -1036 -468 97 -915 -154 -739 -265 1181 1107 853 1352 252 805 1098 596 255 505 710 1363 1138 2077 474 -1449 -373 -1431 697 1495 299 314 -85 638 86 -758 -709 -1896 -453 -402 -1219 -788 -2097 -2082 -565 -471 54 80 832 438 342 463 -810 79 904 313 -38 1040 586 -546 -358 -1337 -1546 329 447 -1421 -238 -834 -352 304 728 254 178 127 -105 -3 602 -48 763 482 21 -259 579 101 943 1011 -741 629 969 479 480 -535 -643 -373 353 -164 -581 279 132 -459 -40 -755 195 -215 5 -844 -1094 -372 -107 211 375 -3 -942 -519 -72 -65 326 183 -318 396 291 876 514 -159 454 422 243 524 250 -440 -202 80 793 66 1035 -14 -2087 -902 -802 -548 203 10 -849 -822 -265 -803 -360 74 -680 -111 -526 -191 894 884 678 1118 214 693 951 513 218 436 607 1245 1054 1975 437 -1313 -321 -1239 649 1459 299 321 -86 638 80 -669 -612 -1621 -392 -388 -1244 -834 -2256 -2366 -654 -576 66 99 1008 523 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