File name: Pandora64s1_NewHavenCT_20230916_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230920T021711.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230916_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230916 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230916T140625.2Z 8659.587791 156 1 48.55 2 52.81 126.23 68.04 116.12 0.00 1 0.00 1 0 17 1.784e-02 8.810e-03 2.751e-03 1.474e-03 2.090193e-01 7.963264e-04 2.550423e-03 -6.000000e+00 1.084833e-02 229.13 -2.00 3.52 -2.00 315.95 0.00e+00 5.948883e-04 8.435770e-05 6.673769e-05 -6.000000e+00 4.855486e-04 287.55 -2.00 20.00 -2.00 315.21 0.00e+00 1.650 0.000 302.00 328.00 3 5.1280e+00 2.0623e-03 1.9778e-02 -6.0000e+00 2.6987e-02 2.7878e-02 2.2912e-03 1.0880e-02 -6.0000e+00 2.9113e-02 -3.4856e-03 1.3176e-03 5.3042e-03 -6.0000e+00 1.7374e-02 -2.2041e-03 5.9984e-04 1.5075e-03 -6.0000e+00 7.4091e-03 4.7679e-04 -2.4491e-07 4.5793e-05 1.9793e-05 -6.0000e+00 5.3041e-04 -7.9648e-03 7.5567e-05 11 9 0 11 8 0 99.47 21.85 0.05 -0.00796 -0.00797 26 6 1 5 0 1867.000 26.32 20.00 21.85 24.84 38.4 1018.47 1100 389 1554 -3053 -16418 -2344 290 -150 1733 1270 -3383 -235 -26 -364 1070 1109 -486 1381 474 2246 1344 1023 1966 1515 647 1312 -493 -908 -936 -633 1312 -110 2475 401 -4108 -1487 -1528 -900 175 -61 -663 -1131 -59 -1227 -369 14 -624 258 -659 -1004 1739 280 854 1262 264 305 1115 144 331 140 234 1424 1323 1850 1366 -1659 -398 -1628 724 1531 495 652 -95 493 360 -572 -371 -2230 -895 -385 -1208 -1000 -1856 -1957 -398 -653 45 132 1117 416 168 353 -1250 -274 677 500 -100 1263 764 -592 -422 -1343 -1888 -101 328 -1507 -51 -56 -366 681 993 519 183 -122 -206 -249 312 -252 411 384 132 -45 735 150 815 848 -1110 457 846 549 515 -553 -565 -308 470 4 -465 431 161 -499 -223 -774 247 86 361 -672 -3762 -466 60 -35 424 320 -874 -62 -7 -114 369 407 -175 509 181 870 527 399 788 638 284 584 -217 -373 -365 -261 531 -47 1112 181 -1815 -666 -764 -495 107 -40 -466 -827 -44 -918 -273 10 -445 178 -449 -697 1244 215 680 1000 215 252 924 119 270 116 202 1250 1234 1780 1264 -1449 -342 -1404 639 1490 496 668 -96 476 334 -504 -302 -1884 -767 -350 -1221 -1056 -1994 -2222 -462 -805 55 166 1370 504 195 376 -1303 -283 742 577 -122 1597 991 -749 -521 -1563 -2253 -121 407 -1977 -67 -76 -509 987 1479 763 255 -164 -265 -320 393 -334 562 551 185 -65 1014 205 1055 1087 -1394 583 1101 752 709 -781 -819 -450 699 6 -738 692 258 -781 -340 -1190 SS 20230916T141144.7Z 8659.591490 159 1 19.81 2 52.01 127.58 67.18 117.18 0.00 1 0.00 1 0 17 1.250e-02 8.886e-03 4.050e-03 2.274e-03 2.055101e-01 1.229131e-03 2.510750e-03 -6.000000e+00 7.599213e-03 229.13 -2.00 3.52 -2.00 315.76 0.00e+00 3.768236e-04 1.253264e-04 7.200464e-05 -6.000000e+00 3.401429e-04 287.55 -2.00 20.00 -2.00 315.04 0.00e+00 1.621 0.000 302.00 328.00 3 5.0578e+00 3.1745e-03 1.9426e-02 -6.0000e+00 1.8904e-02 2.5567e-02 3.5197e-03 1.0678e-02 -6.0000e+00 2.0395e-02 -1.0453e-03 2.0216e-03 5.2108e-03 -6.0000e+00 1.2171e-02 -3.5807e-03 9.1725e-04 1.4543e-03 -6.0000e+00 5.1894e-03 5.3045e-04 -3.2024e-04 7.0229e-05 1.9876e-05 -6.0000e+00 3.7168e-04 -8.0400e-03 2.8283e-05 12 9 1 12 9 1 96.04 21.86 0.18 -0.00804 -0.01045 8 5 1 5 0 2200.560 26.32 20.00 21.86 25.05 38.2 1019.40 -146 -1753 920 -3346 -4310 -1029 -2042 -517 2824 -1851 -3035 -2090 228 -1002 1611 693 -638 1208 384 1640 1848 -185 1570 966 963 997 1027 -998 -374 -1458 2103 -432 3173 1039 -4177 -2605 -1473 -1190 -484 77 -250 -800 91 -1488 -533 -453 -975 99 -478 -1531 1381 1277 117 1180 753 921 943 -35 555 161 117 1928 1126 2285 841 -1431 -207 -1166 705 1362 904 548 -264 874 29 -789 -806 -2389 -972 -196 -1905 -1174 -2245 -1802 -570 -150 575 -237 870 343 -109 592 -794 68 576 649 -44 1243 822 -618 -545 -1191 -1923 109 657 -1552 -373 -186 -152 525 718 510 212 136 -282 -149 432 -206 220 481 -147 -147 888 -267 1208 1087 -1083 831 1224 368 246 -1045 -674 -354 603 3 -168 90 280 -321 -109 -943 -35 -444 227 -778 -922 -213 -457 -126 722 -508 -825 -595 71 -330 575 266 -253 489 161 701 791 -80 653 422 436 460 461 -451 -159 -629 924 -191 1453 479 -1897 -1212 -756 -670 -302 54 -177 -589 68 -1127 -399 -336 -704 73 -344 -1131 1050 973 94 983 639 758 783 -29 452 134 102 1757 1049 2178 779 -1299 -177 -998 647 1318 931 557 -266 871 26 -696 -691 -2022 -830 -185 -1919 -1225 -2486 -2008 -676 -180 717 -303 1088 408 -125 645 -849 72 622 733 -52 1593 1039 -792 -658 -1409 -2251 133 824 -1986 -496 -257 -212 766 1039 726 297 184 -368 -187 549 -265 304 667 -208 -204 1233 -356 1578 1357 -1382 1029 1603 491 341 -1492 -946 -517 893 4 -257 141 433 -501 -165 -1404 SS 20230916T141645.7Z 8659.594973 162 1 47.99 2 51.27 128.87 66.38 118.19 0.00 1 0.00 1 0 25 1.559e-02 8.583e-03 2.164e-03 1.242e-03 2.004790e-01 6.715522e-04 2.450578e-03 -6.000000e+00 9.478969e-03 229.13 -2.00 3.52 -2.00 315.68 0.00e+00 6.059114e-04 6.740122e-05 5.576997e-05 -6.000000e+00 4.242620e-04 287.55 -2.00 20.00 -2.00 314.96 0.00e+00 1.595 0.000 302.00 328.00 3 4.8986e+00 1.7344e-03 1.9068e-02 -6.0000e+00 2.3580e-02 1.9265e-02 1.9238e-03 1.0443e-02 -6.0000e+00 2.5438e-02 7.0412e-04 1.1028e-03 5.0886e-03 -6.0000e+00 1.5181e-02 -3.8183e-03 4.9808e-04 1.4485e-03 -6.0000e+00 6.4737e-03 6.4485e-04 -9.2012e-05 3.8348e-05 1.9549e-05 -6.0000e+00 4.6349e-04 -8.2034e-03 5.9637e-05 11 8 0 10 0 0 98.78 21.87 0.06 -0.00820 -0.00889 28 7 1 5 0 1713.690 26.32 20.00 21.87 25.18 38.3 1020.07 1315 -520 1527 -2021 -13056 -1692 -874 -288 2963 303 -3447 -433 -231 -616 788 861 -402 1758 967 1792 1670 -199 1700 1380 530 897 537 -712 -157 -1134 2076 140 2010 -330 -4202 -1981 -1549 -1489 477 -111 -1110 -1187 -39 -1228 -174 -94 -679 -214 -373 -971 1495 923 650 1276 393 658 1116 534 4 424 408 1340 1266 2239 770 -1322 -403 -1235 478 1765 295 627 -222 516 9 -926 -625 -2310 -793 -189 -1391 -842 -1911 -1850 -486 -387 45 235 924 482 260 456 -1121 -91 810 573 -67 1022 581 -416 -534 -1216 -1794 -8 448 -1508 -373 -280 -194 457 926 513 221 63 -193 -241 470 -344 680 401 -97 -65 655 121 1013 936 -854 542 860 360 430 -570 -649 -395 440 -110 -378 316 174 -414 -45 -865 319 -133 383 -475 -3119 -380 -208 -71 770 83 -956 -123 -73 -208 292 339 -163 727 393 747 700 -84 731 622 249 429 251 -312 -68 -498 931 64 961 -159 -1968 -944 -819 -875 310 -78 -806 -892 -29 -943 -132 -71 -496 -158 -270 -716 1094 715 528 1034 325 554 946 451 4 358 360 1210 1214 2123 735 -1178 -352 -1079 431 1687 303 637 -224 511 8 -834 -539 -1971 -689 -175 -1381 -874 -2106 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