File name: Pandora177s1_WestportCT_20231120_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20231121T052707.8Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20231120_L1_smca1c3d20221101p1-8.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: 20231120 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20231120T132225.9Z 8724.557245 86 1 10.49 2 75.97 132.80 142.06 58.66 0.00 1 0.00 1 0 25 1.524e-01 1.160e-02 1.222e-01 5.268e-03 4.954252e-01 2.744347e-03 6.577925e-03 -6.000000e+00 8.907102e-02 223.13 -2.00 3.51 -2.00 320.30 0.00e+00 5.549386e-03 1.003754e-03 4.356764e-03 -6.000000e+00 3.976240e-03 279.81 -2.00 20.00 -2.00 319.68 0.00e+00 4.034 0.001 302.00 328.00 3 2.6369e+00 8.2251e-03 4.9806e-02 -6.0000e+00 2.1891e-01 2.5482e-02 1.0106e-02 3.2005e-02 -6.0000e+00 2.3882e-01 -4.5095e-02 8.8956e-03 1.9089e-02 -6.0000e+00 1.4261e-01 1.1867e-02 4.4982e-03 7.2179e-03 -6.0000e+00 5.9570e-02 3.9602e-04 8.3086e-04 1.6459e-04 1.2447e-04 -6.0000e+00 4.6205e-03 6.0450e-02 -4.4210e-06 12 9 9 12 1 1 99.84 23.12 0.52 0.06045 0.06669 11 13 1 5 0 873.420 26.51 20.02 23.12 4.06 21.5 878.53 -15633 -33873 -41348 -51864 -44883 -71307 -19128 -63298 -35624 -36599 -69906 2375 -53741 -24514 -6997 2229 -847 8747 -20120 -26968 9484 -16816 -386 -555 -1631 -7991 1602 -20240 -20272 2448 -9056 8599 2053 -9457 -4202 -10884 -4223 1551 -5162 -2520 2925 1172 2127 -1581 800 4277 -2595 7254 -2646 -812 3322 2635 1146 3849 -335 4076 34 -1930 -2597 -1221 2147 3253 3857 4493 1065 2116 1236 2412 1134 1674 796 1002 1459 522 -2215 -1773 -2292 -3658 -2879 -2394 -1021 -1986 -1258 -1479 36 1726 609 1090 1089 1069 357 -1754 -2349 -631 -1059 -548 1574 1227 379 -1347 -1522 -2728 -707 426 -2492 -1918 -1268 -385 1272 1440 1276 976 150 -448 193 -897 143 487 1049 -265 669 1323 1524 899 144 -609 -603 474 -417 -1031 -1191 -1713 -563 71 363 82 607 1042 789 193 -530 -897 -190 -146 -427 -579 -775 -587 -1199 -205 -1182 -549 -598 -1698 32 -1581 -675 -196 66 -28 290 -949 -1423 354 -825 -17 -25 -80 -429 78 -1210 -1231 128 -613 566 159 -844 -349 -986 -400 166 -704 -384 464 202 379 -300 151 797 -527 1365 -570 -182 782 686 327 1133 -107 1285 11 -648 -867 -407 733 1214 1589 1979 493 939 540 1085 574 863 445 573 814 277 -1211 -880 -1086 -1809 -1579 -1386 -666 -1451 -984 -1233 31 1578 589 1068 1052 988 311 -1454 -1896 -522 -976 -572 1681 1451 475 -1684 -1765 -3184 -781 481 -2844 -2308 -1601 -514 1821 2248 1973 1546 234 -718 291 -1328 213 760 1716 -420 1127 2152 2390 1370 213 -870 -851 699 -684 -1734 -2138 -3230 -1101 146 734 172 1305 2249 1691 403 -1133 -1846 -389 SS 20231120T134137.2Z 8724.570570 96 1 48.66 2 73.41 136.65 138.98 63.63 0.00 1 0.00 1 0 17 8.087e-02 8.664e-03 2.032e-02 1.311e-03 4.256357e-01 6.819985e-04 5.192562e-03 -6.000000e+00 4.725856e-02 223.13 -2.00 3.51 -2.00 319.92 0.00e+00 3.829196e-03 2.164179e-04 2.152473e-03 -6.000000e+00 2.110573e-03 279.81 -2.00 20.00 -2.00 319.28 0.00e+00 3.447 0.001 302.00 328.00 3 1.8463e+00 1.9716e-03 4.0959e-02 -6.0000e+00 1.1615e-01 6.5183e-03 2.3619e-03 2.2987e-02 -6.0000e+00 1.2672e-01 -6.0974e-03 1.9354e-03 1.3261e-02 -6.0000e+00 7.5673e-02 -7.4685e-03 9.9196e-04 5.2192e-03 -6.0000e+00 3.1597e-02 1.6609e-03 4.6643e-04 4.2338e-05 7.7381e-05 -6.0000e+00 2.4525e-03 6.1415e-02 -6.3038e-05 11 8 0 10 0 0 99.72 23.13 0.33 0.06141 0.06492 168 39 1 5 0 289.620 26.51 19.97 23.13 5.25 21.5 886.74 -16452 -28031 -22137 -28081 -23348 -31405 -26224 -21419 -30382 -20647 -37096 -16008 -17257 -8009 -3240 -3254 -1742 -715 3400 -2394 -257 -8182 1241 -3769 -3199 -4821 -7621 -6803 -5989 -2302 -3005 1073 95 -2941 -5882 -3837 -3950 -374 -909 -2811 -1193 -1688 -516 -882 1150 1718 598 962 -138 1703 1598 2029 1284 1651 1733 1283 -203 -1124 -611 -346 1740 2955 3562 2539 434 -162 -157 781 2047 2147 699 1359 345 720 -558 -1821 -2120 -2502 -1088 -1990 -1640 -1990 -2353 -1148 33 446 1133 1188 1047 961 358 -388 -1101 -178 -343 -33 607 747 -56 -953 -1337 -1530 -158 154 -1817 -1960 -1173 -733 801 1109 645 102 108 -319 -36 210 608 456 862 -110 423 716 1297 678 498 -597 -311 871 -275 -617 -1095 -1119 -244 110 162 -62 669 702 353 -224 -240 -923 52 -273 -580 -441 -567 -421 -606 -520 -454 -769 -496 -1105 -434 -571 -296 -135 -154 -89 -39 187 -145 -16 -542 77 -263 -235 -370 -595 -516 -449 -176 -261 102 10 -323 -651 -424 -488 -53 -155 -558 -256 -386 -121 -212 275 413 146 237 -35 448 455 627 430 581 634 485 -79 -436 -233 -133 692 1273 1678 1287 226 -81 -76 387 1106 1292 458 909 229 451 -325 -978 -1076 -1294 -612 -1295 -1206 -1620 -2066 -962 29 417 1103 1175 1022 899 314 -349 -957 -158 -334 -33 675 911 -73 -1212 -1582 -1673 -165 166 -2136 -2444 -1528 -1009 1174 1753 1082 174 179 -501 -54 300 875 690 1376 -183 704 1158 2014 1022 721 -838 -428 1238 -431 -1058 -1997 -2121 -438 209 324 -130 1418 1503 753 -466 -477 -1776 100 SS 20231120T134633.3Z 8724.573997 99 1 25.69 2 72.78 137.67 138.17 64.82 0.00 1 0.00 1 0 17 6.187e-02 8.982e-03 8.974e-03 7.596e-04 4.113638e-01 4.015232e-04 5.037689e-03 -6.000000e+00 3.681342e-02 223.13 -2.00 3.51 -2.00 319.40 0.00e+00 3.449314e-03 1.080455e-04 1.542310e-03 -6.000000e+00 1.625565e-03 279.81 -2.00 20.00 -2.00 318.79 0.00e+00 3.328 0.001 302.00 328.00 3 6.6106e-01 1.1191e-03 3.9387e-02 -6.0000e+00 9.0527e-02 7.6234e-03 1.3073e-03 2.1596e-02 -6.0000e+00 9.8162e-02 -1.0632e-02 1.0134e-03 1.2007e-02 -6.0000e+00 5.8588e-02 -3.9145e-03 5.3207e-04 4.6131e-03 -6.0000e+00 2.5167e-02 6.1233e-03 -2.3799e-04 2.4078e-05 5.9813e-05 -6.0000e+00 1.8812e-03 6.2394e-02 -1.8014e-04 12 9 1 12 1 1 91.01 23.12 0.32 0.06239 0.06061 284 124 1 5 0 90.100 26.51 20.02 23.12 5.44 21.6 887.85 -20181 -16125 -23682 -21050 -22080 -15263 -18189 -13014 -18400 -20244 -23305 -19558 -9359 -10779 -2475 -4771 -209 898 353 1367 -1907 -1654 -1907 -1453 -2784 -3638 -5917 -5280 -5380 -3711 -538 -836 180 -4832 -5326 -5139 -3341 -1076 -46 -1533 -1332 -300 -85 530 1252 1596 426 338 139 969 1945 1707 2150 1405 1019 1044 302 -961 -686 344 1613 2912 3276 2324 325 -336 -123 503 2675 1660 914 1002 561 384 -601 -1588 -2168 -2458 -1311 -1761 -2176 -2174 -2522 -1251 -215 332 1205 916 1258 866 482 -504 -919 -187 -195 -117 621 929 -71 -853 -1466 -1390 -31 -144 -1801 -2000 -1102 -761 791 993 744 176 139 -289 -146 244 558 584 808 164 447 752 1269 704 599 -707 -195 786 -153 -704 -1075 -1089 -163 -5 139 27 584 615 322 -69 -319 -893 900000 -492 -417 -672 -553 -548 -349 -463 -354 -575 -673 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