File name: Pandora55s1_QueensNY_20240127_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240128T051153.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240127_L1_smca1c17d20220526p1-8.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: 20240127 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240127T150540.5Z 8792.628941 348 1 5.87 2 65.68 148.03 106.29 307.59 0.00 1 0.00 1 0 17 4.310e-02 8.446e-03 1.999e-02 4.360e-03 3.687865e-01 2.245551e-03 4.296184e-03 -6.000000e+00 2.529467e-02 224.20 -2.00 3.51 -2.00 317.73 0.00e+00 -1.343884e-04 3.682262e-04 1.597144e-04 -6.000000e+00 1.101009e-03 275.30 -2.00 20.00 -2.00 317.15 0.00e+00 2.411 0.000 302.00 328.00 3 3.5067e+00 5.9281e-03 3.0223e-02 -6.0000e+00 6.2438e-02 3.9901e-02 6.6876e-03 1.8359e-02 -6.0000e+00 6.7875e-02 -2.3139e-03 4.2521e-03 9.1486e-03 -6.0000e+00 4.0372e-02 -5.3628e-03 2.1690e-03 2.6982e-03 -6.0000e+00 1.7130e-02 8.9436e-04 2.5537e-03 1.3263e-04 3.1585e-05 -6.0000e+00 1.2925e-03 -9.0176e-04 0.0000e+00 12 9 1 12 13 1 64.49 22.26 0.12 -0.00090 0.01829 3 6 1 5 0 1465.090 26.00 20.00 22.26 13.94 35.5 1032.49 -15423 15525 -13944 -5279 15264 -15213 25782 3727 -1904 -2003 -6205 -6805 -8722 9297 -2472 -5222 -10213 6889 3074 6188 -236 3242 -4046 -711 -1575 4493 -678 -2740 -1994 2845 3231 1979 -2959 -746 1738 196 726 979 1495 -2680 -662 -1364 -978 -645 -619 -1150 238 -993 2838 -543 1119 -624 2841 726 1392 -18 278 1528 970 1788 1266 2775 -1353 -266 -963 -246 -1147 1229 1607 -85 132 263 215 -644 -100 -751 1243 539 -671 184 -794 -1800 -1001 -1082 -855 -890 -1114 -397 -405 398 306 549 1967 1364 683 649 1034 -287 -584 -776 60 236 1347 -740 -526 -818 -1260 121 123 -99 -730 -2 -375 -520 -106 983 513 1057 -220 -300 -251 298 315 644 -117 -52 1264 486 311 893 -128 228 412 332 -280 -94 -84 -80 -920 114 -285 -125 -232 -1199 961 -1115 -367 834 -1124 1444 286 -166 -181 -606 -737 -1105 1159 -384 -900 -1940 1185 568 1145 -47 633 -876 -159 -373 1029 -160 -631 -448 634 779 527 -864 -215 479 56 227 353 613 -1252 -323 -694 -505 -334 -323 -599 122 -514 1441 -290 623 -372 1728 466 911 -12 189 1024 646 1187 869 1989 -1056 -214 -775 -190 -869 924 1278 -74 120 242 197 -576 -85 -600 932 404 -532 157 -738 -1788 -1032 -1156 -948 -1027 -1324 -477 -484 463 342 582 1992 1385 727 738 1255 -371 -782 -1033 76 288 1584 -894 -658 -1062 -1685 165 175 -147 -1121 -2 -575 -772 -151 1351 705 1480 -321 -450 -381 447 464 928 -165 -71 1687 655 436 1308 -194 355 651 538 -470 -162 -146 -141 -1637 200 -489 -209 -384 SS 20240127T151135.9Z 8792.633055 352 1 50.43 2 65.09 149.44 107.15 308.71 0.00 1 0.00 1 0 25 1.309e-02 6.255e-03 1.303e-03 3.306e-04 3.618135e-01 1.704916e-04 4.343389e-03 -6.000000e+00 7.665445e-03 224.20 -2.00 3.51 -2.00 317.57 0.00e+00 9.066836e-05 2.651983e-05 1.368474e-04 -6.000000e+00 3.342123e-04 275.30 -2.00 20.00 -2.00 316.99 0.00e+00 2.359 0.000 302.00 328.00 3 8.9636e-01 4.4836e-04 2.9751e-02 -6.0000e+00 1.8920e-02 2.8854e-02 5.0468e-04 1.8259e-02 -6.0000e+00 2.0586e-02 -1.1040e-02 3.1444e-04 9.0972e-03 -6.0000e+00 1.2244e-02 -9.6688e-05 1.5882e-04 2.6186e-03 -6.0000e+00 5.1797e-03 1.3025e-02 2.8958e-04 1.0029e-05 3.2654e-05 -6.0000e+00 3.9267e-04 1.6578e-02 0.0000e+00 11 1 0 11 4 0 99.82 22.25 0.22 0.01658 0.01875 698 132 1 5 0 72.240 26.00 20.00 22.25 14.07 35.6 1033.24 -4684 -3951 -6822 -5432 -3662 -3403 -833 -2034 -2495 -3179 -725 -1212 -488 58 -746 -826 -1005 866 395 -209 988 1341 759 634 -147 -509 -870 67 1299 1222 1639 1235 -1037 -792 123 -42 238 310 -663 -1156 -1083 -1182 -1106 -641 -416 -835 -584 -449 542 710 698 940 877 778 777 917 332 733 851 1531 1404 1316 461 -542 52 216 504 1378 810 35 -351 -705 -461 -658 -123 368 708 1350 254 -37 -706 -1550 -1291 -1165 -1130 -816 -596 -503 -641 -144 287 497 1334 1444 1196 881 760 -366 -556 -467 -480 1 787 -56 -793 -407 -736 -103 -40 -121 -373 -271 -143 -18 604 867 872 650 -169 -639 -409 -245 -309 130 122 468 1468 1004 403 504 -25 293 153 248 -305 -165 159 -418 -465 -232 -272 -223 87 -381 -338 -590 -430 -268 -254 -67 -187 -250 -332 -77 -143 -67 9 -126 -153 -197 176 84 -46 219 300 179 149 -37 -130 -217 16 319 289 425 355 -326 -248 37 -13 77 121 -289 -543 -551 -631 -604 -351 -228 -459 -317 -242 292 397 395 573 570 504 522 632 233 507 579 1037 995 961 369 -441 42 172 382 1049 645 30 -325 -646 -435 -591 -106 301 533 998 205 -32 -666 -1553 -1326 -1265 -1254 -924 -707 -610 -772 -166 318 527 1373 1482 1264 997 926 -478 -740 -615 -614 1 943 -66 -975 -528 -970 -142 -57 -177 -564 -417 -214 -26 843 1186 1187 920 -248 -954 -619 -365 -462 186 173 631 1955 1356 564 736 -37 458 239 403 -510 -281 278 -725 -809 -406 -458 -371 140 SS 20240127T151902.5Z 8792.638224 356 1 51.27 2 64.39 151.23 108.23 310.13 0.00 1 0.00 1 0 25 1.214e-02 6.348e-03 7.441e-04 2.079e-04 3.531024e-01 1.072744e-04 4.249386e-03 -6.000000e+00 7.112628e-03 224.20 -2.00 3.51 -2.00 317.43 0.00e+00 -4.188613e-05 1.599202e-05 1.230899e-04 -6.000000e+00 3.100981e-04 275.30 -2.00 20.00 -2.00 316.84 0.00e+00 2.300 0.000 302.00 328.00 3 5.7931e-02 2.8102e-04 2.9011e-02 -6.0000e+00 1.7556e-02 2.4656e-02 3.1585e-04 1.7802e-02 -6.0000e+00 1.9101e-02 -1.2725e-02 1.9400e-04 8.8710e-03 -6.0000e+00 1.1361e-02 1.0193e-03 9.7070e-05 2.5438e-03 -6.0000e+00 4.8064e-03 3.2405e-02 3.9630e-04 6.3172e-06 3.2525e-05 -6.0000e+00 3.6433e-04 1.6235e-02 0.0000e+00 11 1 0 11 4 0 61.29 22.23 0.22 0.01623 0.01921 1566 296 1 5 0 32.220 26.00 19.99 22.23 14.88 35.8 1039.57 -3899 -4576 -5739 -4541 -3823 -2790 -1742 -1436 -3065 -2154 -816 -746 -183 -177 -626 -630 331 273 460 -141 962 1320 795 460 -20 -737 -810 290 1345 1208 1449 1203 -1087 -772 -95 30 325 374 -619 -1178 -830 -1067 -904 -618 -486 -785 -541 -585 493 760 659 1033 709 683 622 782 355 650 931 1528 1333 1291 511 -635 29 209 579 1287 848 108 -353 -739 -575 -741 -147 368 689 1335 245 49 -766 -1527 -1311 -1144 -1107 -837 -610 -509 -666 -153 318 493 1411 1478 1306 896 788 -369 -583 -442 -529 56 781 -41 -812 -365 -761 -79 -69 -170 -355 -280 -131 -23 680 889 892 632 -148 -632 -510 -275 -320 158 166 526 1473 1023 443 481 5 272 167 238 -278 -170 145 -436 -483 -295 -228 -200 93 -354 -442 -550 -399 -314 -232 -159 -147 -345 -248 -96 -97 -28 -29 -116 -127 70 61 107 -34 232 322 190 118 -5 -206 -220 74 332 309 405 372 -367 -259 -31 10 113 155 -289 -591 -450 -574 -496 -341 -268 -433 -295 -316 266 424 395 630 462 468 419 540 249 451 633 1091 946 993 409 -518 25 166 458 976 705 96 -326 -706 -542 -666 -127 299 542 1029 195 42 -718 -1523 -1342 -1237 -1227 -985 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