File name: Pandora55s1_QueensNY_20240506_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T134435.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240506_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240506 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240506T120226.5Z 8892.501695 119 1 30.78 2 65.93 88.17 54.68 110.04 0.00 1 0.00 1 0 25 3.264e-02 7.062e-03 7.064e-03 1.563e-03 3.582211e-01 8.185818e-04 4.254690e-03 -6.000000e+00 1.955853e-02 230.43 -2.00 3.51 -2.00 317.78 0.00e+00 -8.313966e-04 1.351726e-04 1.089405e-04 -6.000000e+00 8.570281e-04 282.77 -2.00 20.00 -2.00 317.04 0.00e+00 2.434 0.000 302.00 328.00 3 3.4100e+00 2.1894e-03 3.0792e-02 -6.0000e+00 4.8861e-02 2.5387e-02 2.4650e-03 1.8664e-02 -6.0000e+00 5.2830e-02 -6.4540e-03 1.5362e-03 9.1133e-03 -6.0000e+00 3.1435e-02 3.1785e-04 7.6991e-04 2.5764e-03 -6.0000e+00 1.3144e-02 9.6594e-04 -5.4536e-04 4.7733e-05 3.1143e-05 -6.0000e+00 9.7459e-04 1.6950e-03 0.0000e+00 12 9 1 12 9 1 99.75 22.82 0.20 0.00169 -0.00240 29 9 1 5 0 1025.760 26.11 20.00 22.82 19.53 36.5 1072.58 -11924 -12199 14461 -13944 -4644 138 -4698 9465 422 -1736 -5896 -3746 -5345 -13085 5844 -1622 -4416 12795 6106 3033 -3016 485 2421 -2348 -185 -1184 -2952 -740 -1463 -1012 317 662 823 -1263 -1503 3402 -1562 -1265 1458 601 -950 -394 -1144 -1264 -483 901 -1239 -230 -326 1036 471 234 -96 1539 1650 591 1718 753 1089 951 1492 1477 1250 -280 -37 -658 134 126 1175 888 53 -95 -635 -328 -309 -308 37 1154 723 62 -858 -501 -1805 -1201 -1376 -804 -1035 -505 -449 -365 -207 239 742 1100 1374 996 580 820 -196 -590 -453 -749 -189 910 -71 -524 -505 -651 -33 318 -38 -550 -219 -16 -171 336 817 1071 417 -137 -743 -138 -196 99 122 61 166 1219 1002 342 598 35 407 242 150 -274 -30 149 -300 -468 -260 -213 -372 -62 -824 -950 934 -1150 -331 9 -326 639 35 -157 -573 -370 -587 -1760 761 -253 -761 2004 1062 565 -609 96 481 -506 -42 -283 -731 -176 -337 -227 72 163 220 -362 -432 920 -450 -401 523 248 -439 -193 -583 -656 -251 464 -646 -119 -167 530 248 130 -57 941 1047 387 1145 510 734 635 995 1012 905 -217 -29 -527 103 94 879 706 45 -86 -589 -302 -276 -262 29 866 541 48 -736 -462 -1787 -1236 -1472 -891 -1195 -599 -541 -438 -243 269 788 1123 1397 1058 658 995 -254 -790 -603 -963 -232 1078 -86 -659 -658 -872 -46 452 -56 -847 -342 -25 -254 478 1126 1470 588 -201 -1123 -211 -297 147 178 87 230 1637 1354 481 881 54 634 384 245 -460 -52 262 -533 -835 -459 -369 -628 -103 SS 20240506T122117.7Z 8892.514788 131 1 51.82 2 62.35 91.24 51.39 113.93 0.00 1 0.00 1 0 17 1.895e-01 5.213e-02 8.714e-03 2.272e-03 3.034719e-01 1.185209e-03 3.754872e-03 -6.000000e+00 1.136430e-01 230.44 -2.00 3.51 -2.00 317.37 0.00e+00 1.275189e-02 1.758115e-04 7.819032e-04 -6.000000e+00 4.977196e-03 282.77 -2.00 20.00 -2.00 316.67 0.00e+00 2.144 0.000 302.00 328.00 3 4.9073e+00 3.1372e-03 2.8054e-02 -6.0000e+00 2.8391e-01 1.3009e-01 3.5053e-03 2.3886e-02 -6.0000e+00 3.0686e-01 -1.5927e-01 2.0675e-03 9.1764e-03 -6.0000e+00 1.8260e-01 8.9058e-02 1.0149e-03 1.0525e-02 -6.0000e+00 7.6441e-02 2.9106e-04 7.1565e-06 6.9033e-05 9.5199e-05 -6.0000e+00 5.6575e-03 -4.8048e-03 0.0000e+00 12 8 8 10 0 0 99.97 22.82 0.32 -0.00480 -0.00475 13 2 1 5 0 3985.690 26.11 20.00 22.82 21.16 36.6 1080.97 40709 35174 114766 31553 55528 63911 36617 54353 26931 17993 5175 8160 6803 -2197 38756 28151 21366 -89225 43877 38293 26357 28244 27047 8300 10773 2598 17913 736 2287 6334 9853 18198 16130 15138 13763 25157 7468 4619 6677 5016 -2733 -237 -4746 -1359 952 6403 3033 9724 7402 8670 5836 4767 4290 7193 3835 626 500 -2732 -2227 -3342 -1497 2397 1662 -861 2225 -158 2662 240 1480 772 -1087 -1517 -1351 -3705 -1103 -3514 -2458 -158 -1071 -2301 -1972 434 -1930 -1612 -3167 -2265 -3309 -2099 -2401 -987 -987 -732 -693 -48 -464 -428 -401 428 33 348 974 188 550 1816 805 -296 -161 -646 558 1451 1096 -59 1041 524 -8 677 767 1945 1327 934 146 -8390 1976 2067 1048 1152 752 1522 913 850 1701 1595 1406 855 802 -129 375 -269 -569 -1199 -1006 -1323 -927 -1329 3733 3865 6376 3717 4836 4687 3294 4223 2800 2055 657 1025 960 -398 5744 5220 4564 -49662 8453 8012 6212 6496 6131 2177 2752 713 4286 201 604 1616 2566 4836 4768 4722 4317 6885 2382 1630 2599 2213 -1388 -125 -2663 -766 537 3519 1723 5241 4034 4694 3285 2814 2667 4534 2549 429 346 -1922 -1550 -2335 -1047 1697 1262 -706 1853 -133 2107 185 1130 625 -956 -1406 -1276 -3526 -1000 -3082 -2000 -120 -808 -1836 -1710 401 -1927 -1672 -3440 -2545 -3901 -2539 -2959 -1206 -1176 -835 -745 -49 -471 -453 -454 519 43 465 1293 242 671 2134 964 -372 -210 -870 769 2060 1625 -91 1610 800 -12 950 1041 2613 1834 1344 218 -13389 2953 3032 1512 1617 1026 2014 1216 1172 2442 2370 2135 1321 1265 -211 630 -460 -987 -2097 -1737 -2246 -1531 -2165 SS 20240506T130144.5Z 8892.542876 162 1 50.92 2 54.72 98.22 44.68 123.42 0.00 1 0.00 1 0 17 2.637e-02 8.313e-03 4.373e-03 1.739e-03 2.561674e-01 9.134394e-04 3.062741e-03 -6.000000e+00 1.580252e-02 230.44 -2.00 3.51 -2.00 316.70 0.00e+00 -6.319239e-05 1.133105e-04 4.838465e-05 -6.000000e+00 6.923973e-04 282.77 -2.00 20.00 -2.00 315.98 0.00e+00 1.726 0.000 302.00 328.00 3 4.8788e+00 2.3984e-03 2.1879e-02 -6.0000e+00 3.9478e-02 3.3607e-02 2.6780e-03 1.3265e-02 -6.0000e+00 4.2683e-02 2.3124e-03 1.5604e-03 6.4723e-03 -6.0000e+00 2.5398e-02 -2.6746e-03 7.3152e-04 1.7861e-03 -6.0000e+00 1.0621e-02 5.1415e-04 -4.0550e-04 5.3563e-05 2.3074e-05 -6.0000e+00 7.8733e-04 1.0043e-03 0.0000e+00 11 8 0 10 0 0 99.82 22.82 0.27 0.00100 -0.00204 35 7 1 5 0 1454.560 26.11 20.01 22.82 22.61 36.7 1088.47 -3666 -8456 14000 -8570 43 5875 -3578 12015 1452 1759 -5339 -1347 -5387 -8370 6322 -1057 -3086 -3115 5829 1744 -1013 -67 3182 2387 1151 -1095 5945 -1482 -1098 -811 -463 3039 523 -1090 -2364 5418 -2122 -1203 458 402 -1854 -672 -1951 -1873 -402 232 -1935 -446 -143 298 269 -264 -158 1912 1157 1092 1812 939 747 1192 1099 1930 840 -421 156 -587 297 -669 1100 561 577 141 546 -1086 428 -772 322 1102 672 -233 -1156 553 -1502 -598 -1712 -725 -1127 -217 -798 -310 -192 -246 132 928 1025 825 482 480 -7 -436 -411 -660 -144 1004 99 -298 -544 -684 -115 623 6 -594 -141 -301 -459 324 707 732 784 -211 -955 -150 558 413 428 186 206 1025 387 -11 717 588 171 261 162 -271 55 166 -283 -574 -258 -475 -245 -94 -523 -1388 1952 -1427 6 749 -504 1602 235 302 -996 -246 -1085 -1928 1437 -281 -881 -923 1650 529 -321 -21 988 770 394 -397 2057 -531 -375 -266 -153 1029 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