File name: Pandora75s1_EssexMD_20241219_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T085443.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241219_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241219 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20241219T141441.7Z 9119.593538 332 1 51.63 2 74.07 140.18 73.32 278.72 0.00 1 0.00 1 0 25 2.542e-01 1.463e-02 8.552e-02 3.622e-03 4.447726e-01 1.880783e-03 5.358493e-03 -6.000000e+00 1.493901e-01 223.21 -2.00 3.48 -2.00 319.56 0.00e+00 3.128669e-03 5.343704e-04 1.844619e-03 -6.000000e+00 6.728579e-03 278.21 -2.00 20.00 -2.00 318.94 0.00e+00 3.581 0.001 302.00 328.00 3 4.5631e+00 5.2793e-03 4.2334e-02 -6.0000e+00 3.6734e-01 3.8808e-02 6.2085e-03 2.3381e-02 -6.0000e+00 4.0036e-01 -4.1722e-02 4.8637e-03 1.2523e-02 -6.0000e+00 2.3898e-01 1.5141e-02 2.5233e-03 4.2952e-03 -6.0000e+00 9.9977e-02 9.2941e-05 -5.6422e-04 1.1444e-04 6.1841e-05 -6.0000e+00 7.9409e-03 1.0131e-02 -4.1204e-05 12 8 8 10 0 0 57.24 23.02 0.74 0.01013 0.00589 14 2 1 5 0 3687.730 25.90 20.00 23.02 16.73 5.7 939.38 -138757 -33906 86284 900000 -70640 -56867 22744 -4689 -48079 23171 -40757 39958 24046 196235 13607 -29147 -30423 -11313 12600 -6731 689 13657 -7227 -5142 -15153 -6469 -10916 -11611 -14845 36477 -1722 -2301 2782 100 5261 4635 -4028 1027 10211 7926 -1029 10050 6288 1733 216 5873 2069 -1062 4164 5550 932 1109 1885 8444 1585 5944 -522 -3257 -783 -3256 1422 4920 2563 1585 2777 -2339 251 -2467 3305 2773 118 3292 -1322 -2143 -2601 -899 -982 -1546 -1915 -3477 -1250 -2718 -1522 -1047 -2479 142 485 940 351 2373 -402 -418 -851 -1932 -2379 447 704 -68 563 181 -1411 -1826 -426 -1137 -1778 -1361 -617 528 850 1018 2228 472 386 -446 -335 1050 11 -150 673 175 867 1164 1250 181 424 -807 -179 -677 413 271 -574 -493 -504 -264 -65 -510 58 1073 -512 588 151 -183 -1009 -7975 -784 637 900000 -2291 -1707 321 -96 -1681 426 -1483 706 586 1040 538 -2049 -2396 -795 743 -504 49 863 -579 -427 -1472 -601 -1072 -1120 -1447 2203 -169 -258 329 13 628 557 -572 161 1745 1623 -257 2406 1634 483 62 1614 595 -318 1204 1651 312 367 669 2996 631 2336 -223 -1427 -330 -1403 607 2199 1295 875 1551 -1332 135 -1377 1875 1771 85 2384 -915 -1557 -1756 -542 -551 -864 -1160 -2442 -980 -2214 -1327 -966 -2478 147 527 962 361 2492 -406 -392 -761 -1760 -2356 484 794 -86 751 240 -1792 -2147 -468 -1280 -2141 -1728 -822 739 1184 1535 3548 786 632 -698 -492 1458 15 -221 1039 284 1400 1837 1912 269 600 -1195 -257 -1012 615 441 -1007 -844 -897 -493 -128 -990 115 2136 -1031 1208 298 -347 -1910 SS 20241219T142007.2Z 9119.597305 335 1 50.93 2 73.40 141.28 74.34 279.49 0.00 1 0.00 1 0 17 1.712e-01 1.341e-02 4.857e-02 3.312e-03 4.313513e-01 1.710898e-03 5.140984e-03 -6.000000e+00 1.006172e-01 223.21 -2.00 3.48 -2.00 319.37 0.00e+00 2.370883e-03 4.567629e-04 1.523553e-03 -6.000000e+00 4.459397e-03 278.21 -2.00 20.00 -2.00 318.75 0.00e+00 3.446 0.001 302.00 328.00 3 4.5536e+00 4.7537e-03 4.0719e-02 -6.0000e+00 2.4744e-01 3.7315e-02 5.5477e-03 2.2391e-02 -6.0000e+00 2.6966e-01 -4.4842e-02 4.2227e-03 1.1711e-02 -6.0000e+00 1.6092e-01 1.6257e-02 2.2021e-03 3.8080e-03 -6.0000e+00 6.7180e-02 1.0892e-04 -3.4204e-04 1.0423e-04 5.1854e-05 -6.0000e+00 5.2919e-03 9.7864e-03 -7.8298e-07 12 8 8 10 0 0 24.21 23.03 0.82 0.00979 0.00722 15 2 1 5 0 3395.170 25.90 20.00 23.03 16.71 5.7 939.21 -121176 -24657 75011 44797 -23640 -50680 18335 -43732 -46714 -8146 -27487 10590 15330 70654 2823 -23125 -19166 -5291 6912 -4450 1585 15591 -12041 -3317 -6972 -12239 -6891 -13763 -7158 26933 -3325 -7665 2582 -5752 880 1698 -3603 -2372 5761 6823 -250 7078 6294 -1898 338 3819 3531 -590 -887 4765 513 2591 3356 5070 876 4550 2021 -874 -1499 -1656 503 4655 3263 2782 2295 -2081 247 -1094 2562 2576 -105 2374 -638 -2208 -1643 -1232 -3016 -663 -1818 -3165 -1821 -2789 -1944 -539 -2366 -184 807 1269 31 1854 212 -934 -449 -1693 -2141 301 1326 97 846 249 -1253 -1532 -1063 -1462 -1682 -967 -611 781 483 823 1712 694 405 -580 -353 791 -418 -111 487 454 818 835 1026 960 554 -69 -177 -1125 489 135 -436 -416 -190 -181 -47 -538 258 736 -230 438 48 -713 -845 -7117 -630 824 651 -634 -1719 326 -1596 -1947 -247 -1057 301 485 1552 146 -1785 -1566 -405 498 -375 129 1113 -1167 -312 -721 -1392 -750 -1560 -740 2036 -375 -1018 343 -871 123 234 -568 -429 1148 1576 -69 1943 1818 -553 98 1182 1101 -175 -295 1558 171 919 1273 2017 381 1965 912 -405 -689 -761 234 2251 1762 1630 1381 -1264 142 -641 1558 1752 -73 1690 -466 -1566 -1170 -793 -1835 -390 -1162 -2335 -1384 -2390 -1788 -520 -2290 -186 846 1361 34 1899 206 -924 -419 -1609 -2206 314 1545 127 1083 318 -1647 -1863 -1221 -1716 -2104 -1272 -784 1051 700 1289 2645 1110 637 -874 -533 1132 -607 -168 775 704 1271 1362 1621 1458 807 -97 -244 -1612 746 225 -729 -726 -344 -346 -88 -1065 521 1501 -470 862 90 -1305 -1531 SS 20241219T142543.8Z 9119.601201 338 1 50.90 2 72.73 142.43 75.39 280.28 0.00 1 0.00 1 0 17 1.445e-01 1.302e-02 3.249e-02 3.025e-03 4.147999e-01 1.557569e-03 4.980545e-03 -6.000000e+00 8.494789e-02 223.21 -2.00 3.48 -2.00 319.17 0.00e+00 2.572228e-03 3.923902e-04 1.489519e-03 -6.000000e+00 3.764452e-03 278.21 -2.00 20.00 -2.00 318.54 0.00e+00 3.321 0.001 302.00 328.00 3 4.5529e+00 4.2949e-03 3.9193e-02 -6.0000e+00 2.0890e-01 4.2965e-02 4.9740e-03 2.1420e-02 -6.0000e+00 2.2766e-01 -5.1025e-02 3.6329e-03 1.1236e-02 -6.0000e+00 1.3585e-01 1.8910e-02 1.8897e-03 3.7361e-03 -6.0000e+00 5.6723e-02 1.2530e-04 -1.2389e-04 9.5687e-05 5.2032e-05 -6.0000e+00 4.4672e-03 9.3985e-03 1.6814e-05 12 9 8 11 32 0 39.44 23.05 0.08 0.00940 0.00847 16 3 1 5 0 3180.590 25.90 20.00 23.05 16.88 5.7 940.98 -97693 -28028 21633 59076 -44111 -51495 5724 -35043 -36012 -4690 -16160 -8008 -38173 56048 6012 -13223 -15692 -8364 8558 -7129 12317 9960 -11613 -4953 -7842 1443 -8266 -7452 -9577 14478 1450 -2966 1340 -5608 1607 -3280 -4363 -1547 3521 5317 -6 6054 6898 860 557 4535 2566 668 -1497 2977 2121 1662 2217 5072 763 4285 450 -992 -1688 -1320 2683 4492 2639 1827 2400 -1026 313 -60 3137 1850 132 2065 -334 -2266 -968 -1537 -2046 -2010 -3043 -2781 -1736 -2409 -2356 -1878 -2107 12 284 939 210 874 790 -368 -1291 -2389 -1372 676 912 14 606 -173 -1163 -1730 -557 -1347 -1656 -1355 -330 480 553 1151 2402 1043 540 -163 -794 1051 -385 -143 446 287 504 555 1010 895 556 -412 140 -992 768 6 -570 -424 -363 47 -156 -367 165 402 -92 465 -31 -596 -663 -5685 -1017 504 924 -1796 -2172 142 -1437 -1647 -167 -672 -331 -2477 1703 358 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