File name: Pandora21s1_Bremen_20220504_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T103223.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220504_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220504 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20220504T063500.0Z 8159.274306 149 1 1.07 2 66.30 94.80 82.15 58.12 0.00 1 0.00 1 0 25 4.088e-02 9.831e-03 4.359e-02 8.001e-03 4.040699e-01 4.212842e-03 5.338959e-03 -6.000000e+00 2.458588e-02 229.79 -2.00 3.88 -2.00 317.94 0.00e+00 4.482531e-04 6.621278e-04 1.273491e-04 -6.000000e+00 9.791616e-04 274.66 -2.00 20.00 -2.00 317.64 0.00e+00 2.470 0.000 302.00 328.00 3 2.9262e+00 1.1233e-02 3.4070e-02 -6.0000e+00 6.1803e-02 4.8797e-02 1.2534e-02 2.3117e-02 -6.0000e+00 6.7011e-02 -2.6935e-02 8.2469e-03 1.1502e-02 -6.0000e+00 3.9332e-02 1.1213e-02 4.2820e-03 3.2948e-03 -6.0000e+00 1.6304e-02 1.4112e-03 -8.7887e-04 2.4194e-04 3.9957e-05 -6.0000e+00 1.2274e-03 4.8674e-04 0.0000e+00 12 9 9 12 1 1 999.00 22.25 0.31 0.00049 -0.00612 1 22 1 5 0 446.162 25.28 20.00 22.25 17.60 28.6 1027.40 -4305 -10022 1898 -32295 15360 -5404 11789 -8472 3583 5689 6114 2818 -1684 -4941 -2307 1404 972 -4325 -1791 1465 1583 4521 7922 -5370 2833 -8979 2220 -3788 -6432 2164 -708 1908 -1987 396 -1647 4009 -7638 3563 689 752 -230 -314 -417 -1764 1068 3773 -380 -3145 499 -1418 661 1868 2174 1064 1596 -48 1049 855 -799 -202 1357 681 -88 109 1506 129 -41 -1206 -577 2835 1877 812 -407 -615 -517 -674 58 1969 204 -578 -1293 -777 -1137 -1973 -2092 -807 -160 -1206 395 276 688 346 528 196 396 357 -206 1290 -1083 1031 -1017 -275 -1086 664 275 -889 -819 -1243 1176 -89 45 218 -396 413 412 1256 1249 318 -319 -434 -1572 214 -491 383 -158 20 1108 1865 1404 -59 613 -423 55 -117 214 -675 -869 1057 -38 -16 -574 -560 -15 -230 -630 112 -2529 735 -302 591 -565 237 395 437 220 -154 -543 -287 190 142 -702 -299 247 274 770 1342 -1072 559 -2040 464 -811 -1363 428 -153 442 -517 106 -441 1013 -2233 1073 245 303 -102 -146 -201 -870 519 1805 -187 -1578 245 -720 345 1023 1253 646 998 -31 686 562 -526 -131 885 467 -65 83 1174 100 -30 -899 -444 2288 1623 733 -373 -554 -447 -550 44 1444 155 -474 -1156 -743 -1149 -2081 -2289 -912 -187 -1444 472 325 781 376 548 200 415 396 -245 1627 -1449 1380 -1348 -347 -1319 792 339 -1144 -1085 -1698 1639 -130 69 340 -619 627 603 1768 1734 449 -467 -654 -2427 327 -739 563 -228 28 1507 2508 1947 -86 933 -666 88 -191 360 -1174 -1543 1881 -67 -29 -1007 -958 -25 SS 20220504T065014.6Z 8159.284891 154 1 49.31 2 64.03 97.97 80.22 60.86 0.00 1 0.00 1 0 25 1.062e-02 4.635e-03 3.348e-03 4.298e-04 3.636981e-01 2.261596e-04 4.799663e-03 -6.000000e+00 6.383433e-03 229.79 -2.00 3.88 -2.00 318.84 0.00e+00 2.590358e-04 4.498269e-05 1.457530e-04 -6.000000e+00 2.542902e-04 274.66 -2.00 20.00 -2.00 318.53 0.00e+00 2.270 0.000 302.00 328.00 3 1.2722e+00 6.1305e-04 3.1113e-02 -6.0000e+00 1.6046e-02 1.1684e-02 6.9103e-04 2.1016e-02 -6.0000e+00 1.7400e-02 -3.2170e-04 5.0228e-04 1.0551e-02 -6.0000e+00 1.0213e-02 -5.8607e-03 2.6621e-04 3.0752e-03 -6.0000e+00 4.2320e-03 9.6479e-03 -4.1885e-04 1.3543e-05 3.7844e-05 -6.0000e+00 3.1879e-04 2.6008e-03 0.0000e+00 10 0 0 10 0 0 95.44 22.25 0.18 0.00260 -0.00055 1324 260 1 5 0 34.837 25.28 20.00 22.25 18.33 29.0 1032.99 -901 -3750 -3088 -2463 -3525 -3468 -3969 -1389 -3468 -1975 -2324 -1871 -1761 -437 -497 -1154 -64 -595 -81 -980 -479 -403 -66 -285 -408 -715 -1236 -823 -489 696 212 1035 129 -1092 -1502 -990 -850 -528 -373 -1051 -1173 -1232 -1027 -1000 -562 -596 -533 -605 -244 617 456 731 853 748 641 810 777 449 799 993 1259 1266 1363 706 152 430 285 572 856 510 -85 -98 -293 -241 -82 93 271 426 580 -128 -338 -1023 -1383 -1153 -975 -874 -475 -307 -116 20 285 490 849 1200 983 729 773 417 -281 -440 -301 -498 185 171 -641 -623 -609 -406 -49 13 -47 -106 -103 27 194 555 485 400 86 -439 -562 -254 -281 -75 223 246 829 1025 697 404 235 112 195 290 -29 -145 0 33 -364 -179 -157 -271 -66 -34 -150 -127 -98 -140 -133 -161 -62 -163 -98 -119 -101 -108 -31 -41 -108 -6 -64 -9 -116 -58 -49 -8 -38 -58 -106 -186 -119 -67 94 31 165 23 -205 -277 -179 -164 -118 -100 -309 -386 -434 -374 -371 -209 -222 -198 -222 -89 228 179 308 386 360 323 420 413 240 419 515 666 713 837 470 105 285 178 349 548 365 -68 -77 -234 -198 -64 65 172 257 361 -89 -268 -855 -1260 -1113 -999 -956 -547 -367 -139 23 313 496 792 1076 919 751 891 505 -370 -591 -387 -629 216 199 -792 -772 -794 -556 -71 20 -73 -172 -166 43 294 783 667 565 129 -700 -924 -415 -448 -116 326 344 1101 1424 958 603 377 188 319 492 -52 -274 0 67 -701 -359 -304 -503 -119 SS 20220504T071054.9Z 8159.299247 166 1 50.22 2 60.97 102.38 77.53 64.55 0.00 1 0.00 1 0 17 4.058e-02 9.206e-03 4.389e-02 6.976e-03 3.307395e-01 3.659211e-03 4.362441e-03 -6.000000e+00 2.440220e-02 229.79 -2.00 3.88 -2.00 318.59 0.00e+00 1.716001e-03 6.714030e-04 1.179915e-04 -6.000000e+00 9.718750e-04 274.66 -2.00 20.00 -2.00 318.28 0.00e+00 2.051 0.000 302.00 328.00 3 6.2329e+00 9.8535e-03 2.8152e-02 -6.0000e+00 6.1342e-02 9.6425e-02 1.1071e-02 1.9006e-02 -6.0000e+00 6.6512e-02 -3.9383e-03 7.6504e-03 9.5124e-03 -6.0000e+00 3.9038e-02 -4.5233e-03 4.0093e-03 2.7659e-03 -6.0000e+00 1.6181e-02 8.3280e-05 -3.1059e-04 2.2124e-04 3.3690e-05 -6.0000e+00 1.2182e-03 8.2621e-04 0.0000e+00 11 8 0 10 0 0 99.91 22.25 0.34 0.00083 -0.00151 18 4 1 5 0 2789.203 25.28 20.00 22.25 18.62 28.9 1032.36 -675 4986 7328 8341 -20188 12696 -1159 -2984 18259 -5709 10383 -14225 9379 -11243 -6096 -1027 -6877 -3696 -1024 7500 -6021 6598 4862 2892 -3184 -1821 3188 -2356 -4834 -2457 6373 -1030 5841 2916 -2638 2324 -6163 -4263 -163 2566 -3314 1711 -2528 8 -408 -697 -2352 576 1795 -2380 1933 -559 2061 469 2170 1859 106 -3 -1696 1677 142 2617 -623 2508 59 1454 677 707 -396 -1085 963 785 1380 -102 692 -2014 -1422 -1226 -247 -1504 -2008 -378 -2918 782 -794 -596 79 1252 1032 33 159 145 1214 -1438 405 67 1226 133 -713 -734 350 -2196 -151 404 -2250 211 -363 714 -323 -140 687 864 1268 -790 157 -409 388 -617 -677 -776 22 322 -448 231 936 -7 43 805 15 308 -201 -88 992 -49 300 -486 695 213 546 155 -633 -684 -755 -33 256 383 418 -1218 546 -59 -168 931 -382 612 -1103 655 -1104 -659 -118 -898 -494 -140 981 -918 897 683 433 -533 -312 523 -395 -795 -394 995 -189 1093 585 -545 450 -1374 -1071 -47 830 -1255 655 -1046 3 -170 -292 -996 234 719 -1005 820 -260 997 243 1149 1013 60 -2 -963 915 80 1536 -408 1706 42 984 435 442 -261 -796 757 652 1149 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