File name: Pandora55s1_QueensNY_20240217_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240218T084501.5Z 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_20240217_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: 20240217 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 20240217T174425.6Z 8813.739185 301 1 2.71 2 53.34 190.73 74.36 69.09 0.00 1 0.00 1 0 33 1.029e-02 6.551e-03 4.141e-03 1.564e-03 3.343485e-01 8.117680e-04 4.041766e-03 -6.000000e+00 6.040864e-03 225.00 -2.00 3.51 -2.00 316.83 0.00e+00 1.119810e-04 1.037597e-04 9.532228e-05 -6.000000e+00 2.628012e-04 275.46 -2.00 20.00 -2.00 316.26 0.00e+00 1.670 0.000 302.00 328.00 3 1.7479e+00 2.1096e-03 2.3844e-02 -6.0000e+00 1.4936e-02 3.7511e-02 2.3627e-03 1.6827e-02 -6.0000e+00 1.6243e-02 -1.5882e-02 1.4014e-03 8.3925e-03 -6.0000e+00 9.6561e-03 2.3911e-03 6.7636e-04 2.4031e-03 -6.0000e+00 4.0776e-03 1.0999e-02 3.1162e-04 4.7422e-05 3.1395e-05 -6.0000e+00 3.0863e-04 1.7896e-02 0.0000e+00 12 9 1 12 5 1 98.51 22.58 0.24 0.01790 0.02024 17 64 1 5 0 150.350 25.90 20.00 22.58 8.27 35.1 1043.72 -2605 -3060 -5836 -2648 -1220 -2006 1488 -64 -1337 -1275 -686 480 -879 518 -1564 -368 -778 385 888 -711 593 1344 1048 -154 750 -1099 -718 -727 1793 957 1606 1280 -753 -688 96 362 210 316 -566 -639 -909 -710 -976 -703 -507 -659 -172 -921 698 1267 599 758 813 215 834 864 186 805 1020 1351 1414 1309 64 -661 136 166 364 1399 982 11 -228 -900 -768 -901 -50 252 837 841 401 75 -798 -1177 -1608 -1162 -1236 -923 -637 -554 -683 -64 291 692 1464 1337 1343 886 778 -400 -419 -620 -571 116 879 -142 -902 -483 -706 -87 -76 92 -467 -105 -200 139 564 826 788 471 3 -633 -178 -273 -334 74 284 469 1560 969 536 343 -47 350 264 121 -371 -56 99 -259 -464 -313 -440 -146 -33 -337 -417 -799 -352 -150 -252 200 -9 -206 -202 -111 85 -182 114 -396 -93 -208 107 255 -213 177 403 328 -52 248 -375 -237 -244 568 314 536 470 -299 -272 36 141 86 146 -295 -359 -553 -429 -603 -436 -313 -406 -109 -582 435 812 393 509 579 162 615 652 143 607 755 999 1090 1046 54 -588 119 141 294 1129 832 10 -217 -888 -746 -866 -45 216 687 678 334 68 -785 -1184 -1737 -1275 -1397 -1071 -773 -687 -839 -75 326 759 1543 1402 1449 1027 941 -520 -556 -814 -723 138 1030 -172 -1137 -621 -925 -120 -106 135 -702 -160 -296 198 765 1090 1033 643 4 -920 -263 -397 -485 103 387 627 2042 1244 713 478 -68 519 392 188 -592 -92 161 -430 -774 -510 -708 -230 -51 SS 20240217T182230.6Z 8813.765631 329 1 7.10 2 55.36 201.93 67.69 74.24 0.00 1 0.00 1 0 25 2.064e-02 7.249e-03 9.844e-03 2.969e-03 3.524437e-01 1.534522e-03 4.223671e-03 -6.000000e+00 1.212186e-02 225.00 -2.00 3.51 -2.00 317.23 0.00e+00 -3.176509e-04 2.186355e-04 1.373224e-04 -6.000000e+00 5.273870e-04 275.46 -2.00 20.00 -2.00 316.65 0.00e+00 1.754 0.000 302.00 328.00 3 3.7047e+00 4.0169e-03 2.5070e-02 -6.0000e+00 2.9972e-02 3.7518e-02 4.5150e-03 1.7713e-02 -6.0000e+00 3.2595e-02 -7.9382e-03 2.7462e-03 8.8420e-03 -6.0000e+00 1.9377e-02 -6.3621e-04 1.3591e-03 2.5194e-03 -6.0000e+00 8.1817e-03 1.3910e-03 5.3482e-04 8.9839e-05 3.1591e-05 -6.0000e+00 6.1937e-04 1.8489e-02 0.0000e+00 12 9 1 12 5 1 93.49 22.58 0.26 0.01849 0.02251 5 8 1 5 0 1181.590 25.90 20.03 22.58 8.47 35.1 1043.18 -9250 777 -12441 -224 -3748 -4508 5512 -2298 -3531 -3628 -4020 -2494 -3690 3023 -2945 -2458 8544 2247 3127 2548 -304 456 -287 100 -1074 1489 -163 -676 -677 709 1665 -777 -2249 494 1864 319 -841 1763 -418 -1113 -1004 -1326 -1365 -62 -827 -1645 -89 -245 989 -435 -2 -8 2087 511 584 1501 -102 1737 1339 1982 2193 1098 387 -1079 -436 355 734 877 493 -512 -365 -603 -237 -649 -244 280 1694 795 -188 -503 -419 -1447 -1154 -1502 -1043 -1060 -843 -614 -791 265 167 785 1415 1236 1043 780 998 -286 -277 -297 -619 15 719 -132 -202 -425 -976 227 168 -17 -270 -200 -405 -68 597 699 747 534 -547 -475 -38 -401 -184 31 83 231 1330 946 59 401 358 278 410 492 -358 54 -70 -281 -548 -439 -332 -318 274 -966 78 -1376 -21 -341 -423 520 -259 -431 -456 -524 -351 -598 528 -602 -536 1784 515 737 618 -76 115 -76 28 -314 434 -47 -189 -185 197 495 -254 -777 167 611 108 -315 738 -201 -588 -560 -764 -797 -36 -484 -965 -52 -141 566 -258 -1 -5 1395 357 417 1089 -75 1256 962 1420 1611 855 318 -925 -370 289 580 698 417 -464 -346 -582 -226 -604 -216 232 1328 624 -155 -448 -399 -1471 -1219 -1645 -1181 -1244 -1016 -748 -961 313 189 843 1460 1275 1122 893 1216 -370 -368 -392 -791 18 849 -160 -253 -549 -1297 309 236 -24 -408 -306 -610 -98 831 946 1008 736 -784 -700 -56 -592 -266 44 115 310 1736 1246 81 573 529 419 627 770 -578 90 -117 -478 -936 -740 -548 -513 435 SS 20240217T190437.5Z 8813.794879 351 1 40.49 2 59.06 213.37 60.11 79.93 0.00 1 0.00 1 0 25 1.712e-02 6.251e-03 3.504e-03 7.974e-04 3.876044e-01 4.117653e-04 4.626537e-03 -6.000000e+00 1.005492e-02 225.01 -2.00 3.51 -2.00 317.70 0.00e+00 1.222146e-04 6.673038e-05 1.560268e-04 -6.000000e+00 4.374057e-04 275.46 -2.00 20.00 -2.00 317.12 0.00e+00 1.937 0.000 302.00 328.00 3 2.7396e+00 1.0872e-03 2.7662e-02 -6.0000e+00 2.4861e-02 4.2821e-02 1.2259e-03 1.9559e-02 -6.0000e+00 2.7035e-02 -1.1223e-02 7.7602e-04 9.7567e-03 -6.0000e+00 1.6072e-02 -8.9111e-04 3.9507e-04 2.8111e-03 -6.0000e+00 6.7876e-03 2.8940e-03 4.1061e-04 2.4031e-05 3.4434e-05 -6.0000e+00 5.1368e-04 1.7352e-02 0.0000e+00 12 1 1 12 5 1 99.97 22.57 0.19 0.01735 0.02044 118 28 1 5 0 340.170 25.90 19.99 22.57 7.19 35.1 1037.07 -9688 1097 -10397 -6053 -1976 -4109 963 -2697 -2721 -4960 -1549 -2360 -1648 2713 -907 -1754 -115 1897 1777 644 1331 1019 -603 298 -98 826 -926 -431 -475 834 1437 480 -1991 -923 879 -420 -605 428 -622 -1591 -825 -1349 -1104 -690 164 -971 -267 -230 669 545 589 644 1264 794 735 882 448 916 876 1441 1437 1533 121 -374 -104 208 416 1302 854 -5 -293 -549 -694 -519 -141 651 874 1103 214 -211 -494 -1508 -1304 -1209 -1258 -926 -629 -399 -539 -81 293 543 1406 1328 1168 964 759 -275 -556 -506 -470 18 727 -77 -786 -467 -875 -92 29 -146 -357 -156 -83 -100 607 750 897 594 -81 -693 -380 -273 -176 151 149 433 1397 863 366 497 73 296 122 275 -279 -166 88 -319 -451 -253 -287 -181 58 -717 78 -809 -425 -127 -277 68 -220 -239 -460 -145 -247 -198 364 -141 -297 -20 346 338 127 264 205 -129 67 -23 197 -220 -98 -107 192 358 132 -589 -271 249 -123 -195 157 -263 -744 -409 -691 -576 -360 86 -509 -139 -120 350 293 334 385 787 516 489 600 307 623 588 966 993 1117 94 -302 -84 162 314 991 691 -5 -268 -513 -644 -466 -120 518 662 831 170 -183 -462 -1507 -1356 -1301 -1408 -1071 -747 -481 -646 -95 327 575 1433 1355 1248 1100 928 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