File name: Pandora64s1_NewHavenCT_20241013_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241014T044445.2Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241013_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: 20241013 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 20241013T145126.9Z 9052.619062 214 1 9.63 2 55.10 147.32 148.49 43.42 0.00 1 0.00 1 0 33 2.358e-02 1.079e-02 9.185e-03 4.130e-03 2.468958e-01 2.198614e-03 2.733482e-03 -6.000000e+00 1.432984e-02 226.01 -2.00 3.52 -2.00 316.37 0.00e+00 4.774026e-04 2.657075e-04 1.120656e-04 -6.000000e+00 6.356032e-04 284.14 -2.00 20.00 -2.00 315.70 0.00e+00 1.743 0.000 302.00 328.00 3 5.1500e+00 5.6994e-03 2.1259e-02 -6.0000e+00 3.5441e-02 2.1884e-02 6.3722e-03 1.2204e-02 -6.0000e+00 3.8217e-02 4.6213e-04 3.7184e-03 5.9161e-03 -6.0000e+00 2.2808e-02 -3.3237e-03 1.7488e-03 2.1703e-03 -6.0000e+00 9.9144e-03 4.0045e-04 1.4021e-02 1.2871e-04 1.9199e-05 -6.0000e+00 7.0129e-04 -1.7564e-02 2.7512e-03 12 9 9 12 9 1 99.86 21.11 -0.06 -0.01756 0.08780 3 5 1 5 0 2406.130 25.68 20.01 21.11 19.81 39.3 992.18 900000 2071 -3202 1524 -18718 -1527 -6659 -518 1483 3483 -4806 -5463 -3445 -1002 -1435 1985 -57 3751 2085 2236 1617 2012 1263 1556 1742 3323 1250 2872 2341 -3619 427 -238 3116 341 -3698 -3744 -3607 -2551 -1013 -1180 -681 -900 -872 -1523 460 1079 -829 535 515 -1784 1406 816 -360 1208 707 852 1593 98 1295 121 691 1033 1536 2065 2773 -192 -71 -2171 268 385 135 -29 328 1247 -355 -735 88 -3321 -1025 43 -1683 -1598 -2416 -1910 -715 41 990 628 872 1017 300 580 -1496 -500 967 -219 -31 1301 1003 -364 -1453 -1659 -2088 57 71 -1335 -207 219 -136 383 968 640 -613 -218 -1134 -1014 690 376 674 939 -330 -224 492 -28 775 397 -788 666 1396 801 1092 -146 -352 926 1042 -17 -197 -72 -373 -923 -546 -1173 900000 353 -556 245 -3328 -226 -1106 -90 276 661 -978 -1122 -784 -251 -408 562 -17 1126 656 727 536 657 431 557 647 1248 471 994 774 -1277 155 -92 1251 141 -1485 -1556 -1592 -1242 -575 -732 -431 -592 -591 -1037 306 712 -542 353 335 -1209 943 584 -263 912 546 671 1260 78 1001 95 569 878 1386 1862 2478 -163 -60 -1799 237 366 132 -29 320 1195 -329 -618 71 -2720 -891 40 -1688 -1689 -2615 -2175 -838 49 1219 787 1076 1219 345 612 -1560 -524 1041 -253 -38 1661 1305 -460 -1798 -1981 -2471 68 91 -1751 -275 302 -193 556 1436 933 -884 -298 -1502 -1301 892 513 952 1334 -475 -325 689 -39 1013 511 -1000 872 1874 1106 1562 -208 -521 1381 1644 -27 -322 -117 -612 -1473 -867 -1821 SS 20241013T150041.9Z 9052.625485 217 1 48.36 2 54.20 149.90 147.29 46.71 0.00 1 0.00 1 0 17 1.256e-02 7.985e-03 1.540e-03 6.461e-04 2.414551e-01 3.437272e-04 2.934286e-03 -6.000000e+00 7.539994e-03 226.01 -2.00 3.52 -2.00 316.62 0.00e+00 4.131185e-04 4.263922e-05 1.004390e-04 -6.000000e+00 3.367760e-04 284.14 -2.00 20.00 -2.00 315.90 0.00e+00 1.705 0.000 302.00 328.00 3 3.3551e+00 8.9267e-04 2.1067e-02 -6.0000e+00 1.8641e-02 2.1738e-03 9.9731e-04 1.2347e-02 -6.0000e+00 2.0176e-02 6.4561e-03 5.8342e-04 6.1040e-03 -6.0000e+00 1.2046e-02 -7.2207e-03 2.7636e-04 1.7441e-03 -6.0000e+00 5.1446e-03 2.5295e-03 3.1009e-04 2.0087e-05 2.1882e-05 -6.0000e+00 3.7329e-04 6.8665e-04 5.2339e-05 11 9 0 11 8 0 99.98 21.13 0.14 0.00069 0.00302 279 67 1 5 0 173.310 25.68 19.98 21.13 20.77 39.4 997.97 542 179 187 -2669 -7794 -946 230 1417 1191 -124 -3964 -1438 -97 -4 1154 762 -755 1114 24 1805 570 -354 559 1013 251 1065 226 -1159 -768 185 1430 -30 2344 -772 -4660 -2414 -1770 -1095 302 21 -949 -1069 -339 -1052 -256 8 -696 -369 -762 -446 1480 818 777 1276 284 833 1166 452 210 379 604 1360 1391 2265 516 -1308 -419 -1517 835 1500 413 416 -101 595 176 -919 -742 -2162 -582 -396 -1216 -751 -2107 -1887 -405 -370 248 219 927 479 423 329 -960 0 827 286 65 1254 572 -452 -533 -1649 -1844 252 291 -1361 -260 -784 -139 511 929 440 225 54 -365 -245 354 -279 638 389 -103 -176 748 43 967 673 -892 632 958 360 512 -523 -673 -368 500 -138 -326 459 222 -455 2 -868 83 29 30 -399 -1131 -141 37 228 208 -22 -739 -282 -21 -1 316 224 -232 351 7 557 178 -112 182 346 90 385 80 -388 -265 64 485 -11 896 -298 -1765 -941 -770 -554 165 13 -586 -685 -222 -689 -167 5 -439 -244 -499 -299 967 568 568 970 221 661 931 359 165 302 473 1137 1238 2072 458 -1092 -334 -1225 727 1438 398 410 -98 581 158 -755 -605 -1764 -509 -362 -1164 -781 -2330 -2081 -474 -457 301 270 1118 577 471 356 -986 0 913 329 82 1613 753 -576 -675 -1971 -2179 312 364 -1802 -359 -1077 -201 773 1374 642 329 73 -486 -315 463 -385 889 567 -151 -253 1039 60 1283 854 -1175 809 1303 519 728 -766 -1015 -553 790 -226 -547 743 374 -748 2 -1353 SS 20241013T150927.4Z 9052.631567 220 1 48.31 2 53.41 152.41 146.09 49.64 0.00 1 0.00 1 0 17 1.180e-02 8.170e-03 4.222e-04 2.027e-04 2.374468e-01 1.079637e-04 2.899287e-03 -6.000000e+00 7.082425e-03 226.01 -2.00 3.52 -2.00 316.23 0.00e+00 3.587216e-04 1.224643e-05 8.121085e-05 -6.000000e+00 3.163510e-04 284.14 -2.00 20.00 -2.00 315.53 0.00e+00 1.673 0.000 302.00 328.00 3 1.2221e+00 2.7908e-04 2.0689e-02 -6.0000e+00 1.7510e-02 -1.4754e-02 3.1121e-04 1.2135e-02 -6.0000e+00 1.8952e-02 1.8010e-03 1.8021e-04 5.9956e-03 -6.0000e+00 1.1315e-02 -4.7753e-03 8.3796e-05 1.7030e-03 -6.0000e+00 4.8319e-03 2.2390e-02 1.0108e-04 6.2819e-06 2.2347e-05 -6.0000e+00 3.5067e-04 6.2542e-04 1.6288e-05 11 8 0 10 0 0 99.87 21.15 0.19 0.00063 0.00138 1464 352 1 5 0 32.990 25.68 20.00 21.15 22.10 39.6 1004.88 800 -1076 101 -3822 -4723 -2229 -598 652 999 -496 -3680 -1931 -245 -278 1034 475 -594 939 446 1710 821 -361 964 936 608 1226 494 -986 -819 245 1705 119 2307 -645 -4648 -2494 -1952 -1161 252 144 -994 -960 -150 -861 -224 86 -665 -96 -754 -199 1250 853 828 1416 273 914 1129 550 101 342 632 1436 1384 2321 447 -1335 -453 -1609 824 1614 353 460 -141 645 7 -839 -1019 -2117 -606 -426 -1232 -722 -2092 -1950 -448 -418 125 218 972 455 403 294 -867 -20 850 313 0 1286 607 -479 -529 -1656 -1776 282 317 -1328 -276 -759 -180 426 912 411 277 66 -278 -179 462 -257 666 446 -40 -191 708 21 1034 778 -836 640 992 415 522 -551 -665 -333 510 -144 -452 375 140 -456 -22 -836 148 -212 20 -697 -801 -373 -106 127 210 -109 -822 -457 -64 -76 313 154 -200 327 160 629 305 -136 373 380 238 489 193 -391 -310 93 684 48 969 -273 -1932 -1068 -933 -602 153 92 -680 -681 -102 -587 -161 61 -464 -66 -509 -137 904 615 628 1117 221 753 884 453 82 284 518 1255 1222 2105 394 -1167 -378 -1360 750 1531 340 453 -137 624 6 -722 -867 -1795 -520 -386 -1242 -751 -2315 -2173 -530 -499 155 274 1195 530 454 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