File name: Pandora55s1_QueensNY_20230630_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230709T130908.9Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230630_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: 20230630 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 20230630T131007.7Z 8581.548700 198 1 48.78 2 50.66 91.99 158.32 322.92 0.00 1 0.00 1 0 17 2.234e-02 9.000e-03 3.579e-03 1.803e-03 2.265959e-01 9.625021e-04 2.699933e-03 -6.000000e+00 1.352866e-02 232.90 -2.00 3.51 -2.00 316.14 0.00e+00 1.198917e-04 1.058963e-04 1.009009e-04 -6.000000e+00 6.018894e-04 288.14 -2.00 20.00 -2.00 315.36 0.00e+00 1.574 0.000 302.00 328.00 3 5.0630e+00 2.5200e-03 1.9804e-02 -6.0000e+00 3.3942e-02 1.3503e-02 2.8006e-03 1.1835e-02 -6.0000e+00 3.6603e-02 4.5576e-03 1.6079e-03 5.7106e-03 -6.0000e+00 2.1787e-02 -2.8498e-03 7.3269e-04 1.5731e-03 -6.0000e+00 9.1697e-03 5.3041e-04 3.0749e-04 5.5574e-05 2.1102e-05 -6.0000e+00 6.7228e-04 1.1255e-02 0.0000e+00 11 9 0 11 36 0 2.24 22.65 0.40 0.01125 0.01357 14 3 1 5 0 3483.640 26.00 20.01 22.65 36.88 35.7 1100.00 -6427 11335 -9775 -727 -745 -2251 10016 460 -2212 -4777 -1783 -4009 -1534 5339 -395 -4501 1523 6279 2179 3410 644 2380 -2596 282 -633 5145 -734 -692 -781 -318 2540 801 -3952 -1673 -220 -2230 -1435 771 309 -1927 484 -2681 -1643 -733 721 -1627 1029 -97 911 -198 -1028 -16 2141 1624 858 2118 539 1289 813 1066 2066 1103 -405 -284 -1591 564 -367 1175 691 -325 145 387 -642 267 -553 524 1522 41 -575 -870 -34 -1389 -1125 -1822 -498 -1139 -242 -424 -252 -873 127 443 1187 895 959 207 713 -100 -629 -378 -496 14 1212 583 -184 -274 -728 117 29 445 -556 2 -281 -668 277 612 1041 117 -262 -1054 -195 369 574 -37 75 -47 676 417 155 813 370 475 322 538 -82 129 354 -360 -687 -503 -309 -253 -184 -1381 2160 -2185 -140 -134 -413 1790 98 -511 -1145 -421 -1013 -418 1527 -128 -1587 527 2148 792 1254 245 895 -1040 115 -269 2112 -308 -278 -302 -123 1001 340 -1795 -743 -94 -977 -680 406 184 -1268 330 -1914 -1182 -524 511 -1161 710 -66 613 -136 -734 -12 1618 1267 684 1704 440 1045 656 862 1705 958 -372 -267 -1487 497 -310 980 607 -307 143 391 -652 262 -522 462 1258 34 -485 -790 -33 -1429 -1199 -2017 -570 -1363 -297 -530 -314 -1068 148 486 1236 918 1016 232 848 -126 -818 -489 -619 16 1403 690 -227 -352 -961 158 40 636 -820 3 -409 -934 368 783 1323 153 -357 -1490 -280 527 807 -51 101 -61 854 526 202 1093 513 667 459 781 -123 199 555 -574 -1103 -801 -483 -389 -279 SS 20230630T131603.9Z 8581.552823 201 1 50.24 2 49.54 93.00 158.95 326.05 0.00 1 0.00 1 0 17 1.700e-02 7.917e-03 2.993e-03 1.588e-03 2.222300e-01 8.489336e-04 2.666116e-03 -6.000000e+00 1.029101e-02 232.90 -2.00 3.51 -2.00 315.99 0.00e+00 -4.546381e-04 9.015712e-05 3.269576e-05 -6.000000e+00 4.579027e-04 288.14 -2.00 20.00 -2.00 315.22 0.00e+00 1.538 0.000 302.00 328.00 3 4.9080e+00 2.2189e-03 1.9403e-02 -6.0000e+00 2.5819e-02 9.5243e-03 2.4641e-03 1.1651e-02 -6.0000e+00 2.7845e-02 2.0820e-03 1.4119e-03 5.6299e-03 -6.0000e+00 1.6573e-02 -8.8060e-04 6.3828e-04 1.5511e-03 -6.0000e+00 6.9743e-03 6.5006e-04 3.3805e-04 4.8952e-05 2.0958e-05 -6.0000e+00 5.1145e-04 1.2233e-02 0.0000e+00 11 9 0 11 44 0 18.05 22.65 0.43 0.01223 0.01477 17 3 1 5 0 2954.760 25.90 20.01 22.65 37.15 35.7 1100.00 -5787 6960 -8469 -1909 -925 -1095 6440 270 -1669 -2654 -2191 -1297 -2086 4039 2696 -3597 688 3254 2345 2511 1155 1581 -1959 407 -1042 4243 -1230 -366 -234 332 1579 761 -3703 -1111 1534 -1326 -1236 682 299 -1549 -158 -1734 -1189 -1286 335 -1739 275 -357 716 205 -880 -358 1219 618 558 2145 434 1731 747 1408 1783 1443 -284 37 701 493 -206 827 1073 -576 -353 -72 -565 -83 -651 196 847 582 -520 -524 60 -1216 -1231 -1548 -910 -997 -201 -670 -244 -790 -223 325 1130 1133 1092 257 492 -374 -565 -265 -554 27 997 445 -626 -332 -509 128 607 574 -437 13 -84 -364 164 423 923 200 -33 -939 -507 234 214 81 141 -100 818 756 -73 603 299 544 374 525 -379 208 293 -179 -470 -540 -113 -670 -106 -1330 1479 -2001 -397 -179 -214 1278 62 -412 -672 -555 -343 -609 1236 902 -1319 252 1193 889 973 455 624 -816 173 -464 1836 -541 -153 -94 132 652 334 -1729 -507 666 -596 -605 371 183 -1042 -110 -1257 -870 -942 243 -1264 194 -249 491 143 -636 -269 938 491 452 1748 360 1415 611 1150 1490 1263 -262 34 650 436 -176 697 947 -548 -352 -74 -574 -82 -619 174 708 476 -441 -476 58 -1251 -1314 -1712 -1044 -1189 -246 -836 -304 -965 -260 358 1179 1162 1155 288 585 -471 -732 -340 -688 32 1155 526 -775 -425 -669 172 837 816 -640 19 -121 -505 216 539 1168 259 -45 -1320 -724 332 299 111 188 -129 1028 948 -95 806 411 760 529 757 -564 317 457 -282 -748 -851 -175 -1022 -160 SS 20230630T132142.6Z 8581.556743 204 1 50.46 2 48.47 93.98 159.51 329.17 0.00 1 0.00 1 0 25 1.539e-02 7.823e-03 2.468e-03 1.361e-03 2.173357e-01 7.290295e-04 2.612430e-03 -6.000000e+00 9.317036e-03 232.90 -2.00 3.51 -2.00 315.86 0.00e+00 -2.366713e-04 7.512645e-05 4.952560e-05 -6.000000e+00 4.146659e-04 288.14 -2.00 20.00 -2.00 315.10 0.00e+00 1.505 0.000 302.00 328.00 3 4.6690e+00 1.9032e-03 1.8985e-02 -6.0000e+00 2.3375e-02 6.9039e-03 2.1118e-03 1.1383e-02 -6.0000e+00 2.5212e-02 5.6192e-03 1.2081e-03 5.5044e-03 -6.0000e+00 1.5006e-02 -3.8549e-03 5.4274e-04 1.4963e-03 -6.0000e+00 6.3123e-03 8.5948e-04 1.0325e-04 4.2002e-05 2.0695e-05 -6.0000e+00 4.6316e-04 1.4389e-02 0.0000e+00 11 9 0 11 44 0 85.00 22.66 0.26 0.01439 0.01517 22 4 1 5 0 2292.390 26.00 20.02 22.66 37.29 35.7 1100.00 -4818 3928 -8036 -2150 -1310 -649 6771 1502 -406 -1400 -194 -1410 -1965 3494 -902 -3117 5162 2434 1164 1568 484 1551 -1117 -119 -452 2792 -1096 -575 264 572 1868 372 -3252 -764 2498 -841 -331 815 -501 -1686 -716 -1576 -1467 -965 -350 -1649 55 -602 681 103 -133 18 1550 1291 759 1662 770 1146 823 1161 1890 1039 -327 -252 -1043 483 -210 1241 1001 -18 64 -244 -954 -216 -496 114 1018 1134 -246 -488 -242 -1444 -1002 -1268 -729 -1032 -294 -475 -250 -597 97 450 1433 1249 959 604 735 -396 -584 -385 -486 102 1134 199 -653 -533 -648 -7 485 187 -430 -233 -244 -556 269 656 1018 519 -382 -946 -295 32 198 80 235 310 1115 804 247 422 224 462 198 522 -224 48 187 -340 -770 -208 -395 -326 56 -1163 909 -1997 -475 -270 -134 1420 361 -105 -369 -51 -393 -600 1126 -324 -1189 1897 937 464 634 199 637 -479 -53 -207 1264 -498 -249 109 236 794 169 -1562 -358 1111 -388 -165 455 -315 -1157 -512 -1161 -1093 -717 -259 -1220 40 -427 475 73 -97 14 1207 1035 620 1372 642 952 679 960 1596 920 -305 -241 -986 431 -180 1052 890 -17 64 -249 -977 -215 -474 102 856 933 -210 -447 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