File name: Pandora252s1_BoulderCO-NCAR_20251104_L2Fit_fout2c3d20230118p1-8.txt File generation date: 20251105T064809.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Ivan Ortega Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 252 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora252_OF_v3d20221123.txt Instrument calibration file used: Pandora252s1_CF_v3d20230118.txt Level 1 file used: Pandora252s1_BoulderCO-NCAR_20251104_L1_smca1c3d20230118p1-8.txt Full location name: National Center for Atmospheric Research Short location name: BoulderCO-NCAR Country of location: United States Location latitude [deg]: 40.0375 Location longitude [deg]: -105.2420 Location altitude [m]: 1616 Local noon date: 20251104 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: Updated OoB with correct parameters based on session 2 First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0965 305.2374 305.3783 305.5193 305.6602 305.8010 305.9419 306.0828 306.2237 306.3645 306.5053 306.6462 306.7870 306.9278 307.0686 307.2094 307.3501 307.4909 307.6316 307.7724 307.9131 308.0538 308.1945 308.3352 308.4759 308.6166 308.7572 308.8979 309.0385 309.1792 309.3198 309.4604 309.6010 309.7416 309.8821 310.0227 310.1633 310.3038 310.4443 310.5848 310.7253 310.8658 311.0063 311.1468 311.2873 311.4277 311.5682 311.7086 311.8490 311.9894 312.1298 312.2702 312.4106 312.5509 312.6913 312.8316 312.9719 313.1123 313.2526 313.3929 313.5332 313.6734 313.8137 313.9539 314.0942 314.2344 314.3746 314.5148 314.6550 314.7952 314.9354 315.0755 315.2157 315.3558 315.4960 315.6361 315.7762 315.9163 316.0564 316.1964 316.3365 316.4765 316.6166 316.7566 316.8966 317.0366 317.1766 317.3166 317.4566 317.5965 317.7365 317.8764 318.0164 318.1563 318.2962 318.4361 318.5759 318.7158 318.8557 318.9955 319.1353 319.2752 319.4150 319.5548 319.6946 319.8344 319.9741 320.1139 320.2536 320.3934 320.5331 320.6728 320.8125 320.9522 321.0918 321.2315 321.3712 321.5108 321.6504 321.7901 321.9297 322.0693 322.2088 322.3484 322.4880 322.6275 322.7671 322.9066 323.0461 323.1856 323.3251 323.4646 323.6041 323.7435 323.8830 324.0224 324.1618 324.3012 324.4406 324.5800 324.7194 324.8588 324.9981 --------------------------------------------------------------------------------------- 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 20251104T140808.6Z 9439.588989 250 1 54.27 2 84.81 115.35 106.81 304.84 0.00 1 0.00 1 0 17 5.335e-01 2.678e-02 3.019e-01 9.659e-03 8.753801e-01 5.567620e-03 9.235989e-03 -6.000000e+00 3.149627e-01 223.54 -2.00 3.45 -2.00 322.10 0.00e+00 1.154479e-02 3.013489e-03 9.546392e-03 -6.000000e+00 1.449209e-02 273.13 -2.00 20.00 -2.00 321.67 0.00e+00 9.610 0.015 302.00 328.00 3 1.4676e+00 2.0163e-02 1.1181e-01 -6.0000e+00 7.8460e-01 1.0081e+00 2.6654e-02 9.7780e-02 -6.0000e+00 8.6321e-01 -1.4095e+00 2.4867e-02 2.8212e-02 -6.0000e+00 5.0394e-01 5.8598e-01 1.1671e-02 1.4742e-02 -6.0000e+00 2.0795e-01 1.9550e-05 -1.2221e-03 2.7655e-04 1.1965e-04 -6.0000e+00 1.6461e-02 -8.2973e-03 -1.5434e-05 12 8 8 10 0 0 95.98 26.71 0.95 -0.00830 -0.01748 37 4 1 5 0 1466.550 35.25 20.00 26.71 10.93 10.1 894.58 -56353 -5743 -107243 -58376 -176496 55953 -87593 900000 900000 -127317 -123144 900000 -11335 -57511 119107 167841 107680 900000 -15664 59915 900000 900000 -16443 -26476 -75953 44829 -8172 -55755 900000 56355 278240 76468 47107 41219 900000 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872 393 1040 1179 2674 -981 993 2641 448 -2142 1710 2749 203 195 -3770 -579 -282 -3907 756 -2385 1156 -1022 -5171 76 -4610 717 2262 -1047 -2797 -2602 -2654 -870 -2511 -4026 -1395 -3499 -1431 1452 -2200 753 -1818 -3431 1686 4582 2947 3856 2682 1948 4207 3517 49 1647 3158 642 1317 4589 -439 -1818 -66 1364 474 41 2692 -1760 -4403 -5729 SS 20251104T142215.4Z 9439.598789 253 1 54.76 2 82.40 117.76 108.85 307.53 0.00 1 0.00 1 0 17 4.213e-01 8.822e-03 5.175e-02 1.654e-03 7.011833e-01 8.684070e-04 7.680306e-03 -6.000000e+00 2.424193e-01 223.54 -2.00 3.45 -2.00 320.67 0.00e+00 4.366599e-03 3.452039e-04 8.152210e-04 -6.000000e+00 1.049568e-02 273.13 -2.00 20.00 -2.00 320.19 0.00e+00 7.042 0.006 302.00 328.00 3 9.5484e-01 2.6055e-03 6.7626e-02 -6.0000e+00 5.9788e-01 1.6841e-01 3.3837e-03 3.5726e-02 -6.0000e+00 6.5306e-01 -2.1114e-01 3.4829e-03 1.9569e-02 -6.0000e+00 3.8829e-01 7.7936e-02 1.7355e-03 8.2565e-03 -6.0000e+00 1.6202e-01 3.1790e-04 -6.4805e-04 4.5504e-05 9.2187e-05 -6.0000e+00 1.2315e-02 -8.8856e-03 -5.1068e-05 11 8 0 10 0 0 39.22 26.73 0.46 -0.00889 -0.01376 171 17 1 5 0 320.200 35.25 20.00 26.73 13.81 10.2 916.50 -134165 -140763 -159303 -119887 -168160 -144994 -153615 -119316 -83828 -144886 -119158 -39059 -93426 -74603 -28360 -42596 -45519 -25691 -45573 -47228 1383 -32032 -26835 -37719 -39057 -25525 -22180 -28918 -23826 -600 -24466 -6824 -7948 -19382 1702 -13653 -1444 -427 -2775 7908 -204 900 4648 1600 3697 7004 1786 3928 1919 4017 5544 7682 5456 6298 2429 2777 3481 2250 2873 -857 214 4020 3543 3123 2078 1167 1163 457 2794 1838 1458 1036 1037 -295 -513 -2781 -2856 -3019 -2009 -1378 -1127 -1137 -1798 -1454 -918 -509 123 546 412 563 528 -340 -735 -402 -710 79 338 405 -205 -145 -724 -708 250 -142 -1461 -1333 -910 -84 522 302 332 231 30 -12 -126 521 377 165 -193 -152 252 391 488 415 290 221 778 615 102 -83 -131 -134 24 67 -360 -131 246 172 -251 -126 4 -294 -187 -1141 -1487 -2150 -1161 -2469 -1684 -2107 -1309 -717 -2455 -1692 -296 -1583 -1372 -416 -866 -1087 -560 -1309 -1448 27 -868 -727 -1235 -1393 -832 -705 -970 -780 -18 -1101 -310 -419 -1204 84 -797 -83 -29 -237 716 -22 105 550 201 465 877 244 551 292 654 997 1515 1101 1366 580 688 873 565 699 -216 56 1135 1148 1132 795 448 449 188 1156 872 754 554 542 -146 -231 -1269 -1253 -1396 -969 -785 -691 -792 -1375 -1098 -735 -431 108 487 364 475 418 -276 -593 -320 -645 77 383 488 -250 -185 -863 -812 266 -154 -1609 -1553 -1124 -105 720 443 507 370 48 -18 -196 787 581 253 -313 -251 407 608 770 634 428 315 1162 935 167 -147 -240 -261 47 142 -774 -293 560 394 -571 -273 8 -592 -373 SS 20251104T143316.5Z 9439.606441 256 1 54.60 2 80.55 119.69 110.39 309.70 0.00 1 0.00 1 0 17 2.382e-01 8.183e-03 1.527e-02 8.714e-04 6.012876e-01 4.465738e-04 6.748418e-03 -6.000000e+00 1.370547e-01 223.54 -2.00 3.45 -2.00 319.83 0.00e+00 2.965732e-03 1.365173e-04 5.289602e-04 -6.000000e+00 5.933625e-03 273.13 -2.00 20.00 -2.00 319.31 0.00e+00 5.812 0.003 302.00 328.00 3 8.5466e-01 1.2645e-03 5.6205e-02 -6.0000e+00 3.3802e-01 9.1613e-02 1.5109e-03 3.0074e-02 -6.0000e+00 3.6921e-01 -1.2075e-01 1.3356e-03 1.5630e-02 -6.0000e+00 2.1952e-01 4.4115e-02 6.9749e-04 5.7493e-03 -6.0000e+00 9.1605e-02 1.0183e-03 -5.3395e-04 2.4682e-05 6.5077e-05 -6.0000e+00 6.9623e-03 -9.0136e-03 -4.5377e-05 11 8 0 10 0 0 35.42 26.73 0.41 -0.00901 -0.01303 330 33 1 5 0 165.430 35.25 20.00 26.73 15.03 9.9 921.21 -81339 -66019 -83123 -74745 -93428 -89168 -88059 -74720 -58050 -76710 -67589 -45289 -48830 -40467 -23748 -23942 -15786 -7808 -13316 -16886 -5673 -13897 -15305 -14031 -14289 -12292 -14129 -13192 -11095 -7304 -7298 -2945 -672 -4633 -3419 -4720 -3153 -1138 -466 1103 1054 1304 2553 1758 2249 3518 2355 2239 1842 2477 3303 4002 2926 2861 2835 1767 1780 556 719 608 1601 2608 2846 2171 983 1030 275 485 1372 1117 541 410 51 -330 -893 -1636 -1846 -1897 -1768 -1476 -1366 -1711 -2332 -1409 -1012 -526 -78 116 177 237 507 16 -71 3 50 77 578 316 -297 -278 -666 -511 392 -57 -1165 -1193 -626 -448 387 428 128 -30 -7 -26 190 688 732 495 -54 -357 43 433 348 488 467 271 867 1001 89 -62 -229 -236 28 73 -289 -253 277 47 -226 -107 -125 -338 -201 -1272 -1016 -1597 -1270 -1786 -1629 -1729 -1454 -1066 -1819 -1562 -970 -1361 -1321 -811 -964 -657 -330 -638 -880 -270 -725 -852 -835 -916 -807 -950 -859 -713 -494 -582 -265 -67 -500 -355 -505 -371 -157 -71 193 205 272 549 390 506 798 553 543 470 676 991 1213 980 1033 1078 705 724 227 287 242 663 1094 1343 1134 497 549 147 250 781 722 356 279 34 -208 -554 -927 -996 -1059 -1113 -1015 -1018 -1440 -2018 -1287 -928 -510 -78 119 180 230 486 15 -63 3 49 82 670 393 -393 -362 -809 -592 447 -67 -1403 -1521 -801 -586 552 648 203 -48 -11 -40 291 1017 1098 748 -87 -566 70 679 527 743 683 400 1256 1472 142 -105 -405 -425 53 142 -575 -524 564 96 -463 -216 -247 -639 -375 SS 20251104T144257.9Z 9439.613170 261 1 54.55 2 78.95 121.42 111.70 311.65 0.00 1 0.00 1 0 17 1.241e-01 7.372e-03 6.757e-03 5.941e-04 5.310197e-01 3.021028e-04 6.039124e-03 -6.000000e+00 7.141447e-02 223.54 -2.00 3.45 -2.00 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