File name: Pandora177s1_WestportCT_20240111_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T163733.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240111_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240111 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20240111T141847.0Z 8776.596377 108 1 9.12 2 73.34 140.92 79.47 141.57 0.00 1 0.00 1 0 25 3.543e-01 1.285e-02 1.514e-01 5.179e-03 5.266004e-01 2.729900e-03 6.480281e-03 -6.000000e+00 2.080999e-01 223.61 -2.00 3.51 -2.00 319.99 0.00e+00 4.229201e-03 8.918649e-04 2.771726e-03 -6.000000e+00 9.017898e-03 275.40 -2.00 20.00 -2.00 319.49 0.00e+00 3.434 0.001 302.00 328.00 3 3.1537e+00 7.8272e-03 4.4408e-02 -6.0000e+00 5.1327e-01 5.7443e-02 9.5390e-03 2.9108e-02 -6.0000e+00 5.5712e-01 -2.9746e-02 8.7176e-03 1.7756e-02 -6.0000e+00 3.3143e-01 4.0356e-03 4.5169e-03 7.3283e-03 -6.0000e+00 1.4218e-01 3.8084e-04 1.8644e-04 1.5445e-04 9.9458e-05 -6.0000e+00 1.0408e-02 2.0570e-03 0.0000e+00 12 9 9 12 1 1 99.18 23.07 0.27 0.00206 0.00346 7 10 1 5 0 1139.230 26.41 20.03 23.07 10.22 22.5 925.65 310776 -72115 -49688 -95186 121156 -100945 -55104 -51455 -83996 -20857 -62091 -74384 -61311 -24495 -29542 -17875 6464 -14386 6646 -16686 9482 1201 -3372 -7471 -4774 -7185 -15255 -3127 -32143 471 -15027 3189 -1745 -4237 -5107 -15200 -4371 -8065 5776 -5580 4994 1929 5888 268 588 2950 4534 5571 -2916 4666 1173 5867 3636 2966 2535 3499 3431 -3332 -1448 -1514 3796 2532 3602 2556 1221 1264 -3207 2406 -1094 2970 860 2019 1424 -443 -1697 -3601 -2261 -3158 -1606 -2527 -1391 -1349 -2656 -1368 -70 930 1751 1926 1301 49 -714 -560 -1970 -976 -478 -439 770 1001 810 -558 -1314 -1762 -928 -185 -1930 -1705 -1840 -20 1092 1118 1242 177 450 -303 -948 -1071 388 -538 1570 597 831 1862 1716 199 912 -1042 -217 616 -757 -566 -1115 -1215 -861 55 437 108 1256 400 648 95 -591 -1312 1569 -1262 -719 -2083 612 -2175 -816 -831 -2064 -288 -1380 -2153 -1940 -676 -1044 -650 205 -610 244 -809 361 50 -153 -380 -252 -401 -919 -164 -2283 26 -1133 234 -149 -381 -452 -1515 -439 -1010 756 -943 837 355 1084 53 119 594 914 1138 -674 1065 304 1598 1097 956 857 1210 1201 -1234 -517 -543 1366 1022 1604 1242 611 610 -1583 1171 -577 1687 536 1273 881 -262 -990 -1945 -1143 -1663 -935 -1619 -1009 -1085 -2329 -1183 -64 888 1733 1930 1288 46 -641 -497 -1715 -880 -451 -472 927 1256 1068 -729 -1590 -2063 -1036 -213 -2399 -2111 -2403 -28 1616 1716 2033 300 740 -476 -1410 -1633 593 -826 2487 980 1348 2886 2709 308 1342 -1497 -306 912 -1194 -980 -2068 -2237 -1655 112 883 227 2670 862 1378 195 -1212 -2587 SS 20240111T143629.4Z 8776.608674 118 1 17.86 2 71.32 144.67 77.52 144.91 0.00 1 0.00 1 0 25 1.076e-01 1.110e-02 5.091e-02 2.774e-03 4.809490e-01 1.457715e-03 5.880916e-03 -6.000000e+00 6.322026e-02 223.61 -2.00 3.51 -2.00 319.72 0.00e+00 4.036242e-03 4.324236e-04 2.196370e-03 -6.000000e+00 2.739672e-03 275.39 -2.00 20.00 -2.00 319.21 0.00e+00 3.085 0.000 302.00 328.00 3 3.0089e+00 4.0921e-03 3.9803e-02 -6.0000e+00 1.5593e-01 5.5302e-02 4.8764e-03 2.5649e-02 -6.0000e+00 1.6925e-01 -1.7022e-02 4.1975e-03 1.5313e-02 -6.0000e+00 1.0069e-01 -1.7989e-03 2.2056e-03 6.3628e-03 -6.0000e+00 4.3192e-02 6.4563e-04 -2.1518e-05 8.3807e-05 7.8238e-05 -6.0000e+00 3.1619e-03 2.1987e-03 0.0000e+00 12 9 9 12 1 1 91.04 23.07 0.33 0.00220 0.00204 20 13 1 5 0 850.150 26.41 19.99 23.07 10.59 22.5 928.11 -27062 18129 -36709 -38175 -39702 -45348 -33065 -29487 -10743 -38203 -15115 -37947 -33168 -21231 -11209 -17760 -4950 -1966 -4053 2439 2796 3197 -610 -7994 -545 -8733 -10345 -13278 2383 -5004 -592 -988 -1840 -10123 -5334 -7272 -3651 -2538 -382 -435 -1636 -414 -778 -917 921 945 1535 992 2277 1485 1487 530 1531 1386 1621 2759 167 299 -1295 757 1949 3422 4128 3076 903 -333 813 355 2765 2171 1021 1389 1004 569 -1065 -1864 -2821 -2917 -2480 -2096 -2586 -2981 -2705 -1762 -90 688 1659 1100 1939 1205 466 -1415 -2625 -948 -1113 -386 931 1823 470 -692 -1576 -2070 -915 -328 -1276 -1892 -577 -751 972 1069 1303 440 -23 -296 -628 -401 205 862 704 533 959 1169 1423 770 573 -1136 -961 169 -212 -496 -1083 -1170 -514 125 160 -82 760 698 653 82 -424 -1272 -403 193 -695 -701 -690 -824 -575 -558 -185 -908 -301 -1078 -1102 -779 -448 -868 -234 -98 -218 139 161 185 -38 -572 -39 -691 -824 -1066 164 -397 -51 -100 -206 -1260 -616 -869 -470 -388 -68 -83 -347 -92 -180 -218 218 227 371 245 571 397 433 171 527 505 614 1063 67 118 -510 294 789 1505 1999 1617 489 -175 410 186 1575 1393 665 922 654 376 -653 -1045 -1506 -1593 -1503 -1463 -1929 -2469 -2398 -1641 -87 707 1765 1120 2051 1224 444 -1273 -2298 -847 -1103 -432 1086 2324 636 -925 -1956 -2355 -1058 -367 -1533 -2418 -766 -1061 1380 1652 2135 739 -38 -460 -918 -602 310 1282 1107 865 1540 1815 2122 1183 845 -1630 -1354 248 -323 -831 -1937 -2177 -937 240 323 -173 1621 1500 1389 169 -832 -2407 SS 20240111T144028.2Z 8776.611437 121 1 10.73 2 70.89 145.54 77.11 145.67 0.00 1 0.00 1 0 25 1.638e-01 1.341e-02 1.526e-01 8.157e-03 4.723329e-01 4.260133e-03 5.665596e-03 -6.000000e+00 9.624756e-02 223.61 -2.00 3.51 -2.00 319.69 0.00e+00 1.030360e-03 1.251905e-03 1.788968e-03 -6.000000e+00 4.168041e-03 275.39 -2.00 20.00 -2.00 319.17 0.00e+00 3.020 0.000 302.00 328.00 3 4.3234e+00 1.2012e-02 3.9045e-02 -6.0000e+00 2.3740e-01 6.3561e-02 1.4294e-02 2.5494e-02 -6.0000e+00 2.5763e-01 -2.7434e-02 1.2197e-02 1.3537e-02 -6.0000e+00 1.5326e-01 6.1191e-03 6.4020e-03 4.2906e-03 -6.0000e+00 6.5789e-02 1.8750e-04 9.0488e-04 2.4961e-04 5.4957e-05 -6.0000e+00 4.8104e-03 -2.0071e-03 0.0000e+00 12 9 9 12 9 1 98.69 23.07 0.48 -0.00201 0.00479 3 4 1 5 0 2682.060 26.41 20.00 23.07 10.68 22.6 929.14 -82640 -54363 -46268 -87676 -20762 57726 -44886 -14947 11812 26761 -66131 7552 -247 19807 -23997 2984 10579 11258 21206 35599 6591 -11438 16811 6145 11046 -11512 -7472 -16656 -15969 -2620 -1492 13845 -5059 1182 -14378 -9815 -7237 2392 6069 -4532 -1207 1862 4541 -2808 2252 2849 -4952 3718 -1559 6588 3439 1746 3098 744 530 1513 1461 791 -1947 1622 2651 5362 4482 3458 1124 -2253 -1844 0 1317 1717 -2551 1780 561 1146 -1454 -2011 -5064 -2688 1146 -1893 -1587 -3255 -3873 -1238 -226 175 2397 889 1939 924 -183 -480 -1816 343 -60 -551 503 1043 1067 -452 -657 -2220 382 -1808 -1485 -1877 -1793 -970 1333 2104 687 858 903 -337 181 -1604 -82 20 1575 87 987 63 883 484 600 -341 -879 281 -139 751 -1195 -1330 -395 -26 -703 -342 964 791 1348 -182 -882 -614 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