File name: Pandora177s1_WestportCT_20231001_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240313T194934.7Z 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 v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20231001_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: 20231001 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 20231001T125050.1Z 8674.535302 280 1 48.75 2 68.84 114.69 85.15 284.55 0.00 1 0.00 1 0 25 3.014e-02 9.392e-03 2.071e-02 2.880e-03 3.139640e-01 1.489914e-03 3.718663e-03 -6.000000e+00 1.790779e-02 227.48 -2.00 3.51 -2.00 318.94 0.00e+00 1.936834e-03 3.467363e-04 1.075083e-03 -6.000000e+00 8.066152e-04 285.87 -2.00 20.00 -2.00 318.13 0.00e+00 2.744 0.000 302.00 328.00 3 3.8565e+00 4.1300e-03 3.1826e-02 -6.0000e+00 4.4359e-02 1.8722e-02 4.7646e-03 1.6494e-02 -6.0000e+00 4.8195e-02 3.4982e-03 3.2011e-03 8.3386e-03 -6.0000e+00 2.8789e-02 -9.0569e-03 1.6371e-03 2.5766e-03 -6.0000e+00 1.1988e-02 5.0202e-04 8.6250e-04 9.3688e-05 3.0618e-05 -6.0000e+00 9.1526e-04 6.0602e-02 -3.4791e-05 12 8 8 10 0 0 99.93 22.97 0.33 0.06060 0.06708 47 11 1 5 0 1037.040 26.32 20.00 22.97 20.03 22.0 981.02 -3599 -5231 -4441 -12218 640 -6510 -5855 -6843 -12604 -10214 -14869 543 -11868 -1260 2101 1240 -3754 -346 -569 7 -3184 -2366 -1136 2883 962 -3351 1701 -2847 -4762 388 -744 -1091 -1537 -870 -5010 -820 -3812 591 1183 -1046 -154 -1369 308 -816 1320 315 758 -672 383 969 1458 1341 1139 758 1368 1133 188 -448 -907 49 1523 3371 3511 1584 1229 -742 -1199 -424 1489 1519 540 1301 572 1155 -1039 -2187 -2233 -2521 -1396 -2282 -2021 -2532 -2556 -881 -169 736 1417 921 1090 1167 596 -544 -1182 143 -201 -219 439 579 -116 -827 -1285 -1601 -468 -565 -1769 -1794 -1207 -463 1055 1385 1120 732 -34 -80 -362 172 60 200 790 -36 609 416 841 806 623 -311 -623 928 12 -497 -1044 -999 -461 521 251 -55 829 398 278 -71 -151 -1004 -453 -147 -235 -198 -555 24 -254 -245 -325 -689 -620 -969 33 -851 -105 194 127 -429 -40 -69 1 -419 -311 -152 391 141 -521 246 -415 -687 54 -114 -186 -281 -159 -926 -147 -787 139 327 -335 -53 -502 114 -310 493 119 282 -251 142 368 588 582 527 368 681 580 98 -234 -470 25 816 1923 2164 1041 801 -464 -714 -255 962 1089 420 1031 450 861 -731 -1411 -1338 -1508 -893 -1663 -1646 -2266 -2443 -879 -179 821 1648 995 1276 1305 622 -527 -1088 131 -200 -242 536 697 -146 -1026 -1637 -1903 -540 -680 -2300 -2469 -1573 -631 1508 2105 1779 1168 -53 -116 -538 245 86 303 1152 -55 939 630 1349 1243 921 -443 -868 1313 18 -823 -1653 -1627 -773 910 463 -106 1628 794 552 -139 -283 -1834 -824 SS 20231001T132006.0Z 8674.555625 292 1 48.79 2 63.96 120.63 90.16 289.20 0.00 1 0.00 1 0 33 1.848e-02 1.002e-02 1.868e-03 5.036e-04 2.606916e-01 2.601091e-04 3.073836e-03 -6.000000e+00 1.097419e-02 227.48 -2.00 3.51 -2.00 317.87 0.00e+00 1.515446e-03 4.420637e-05 5.501960e-04 -6.000000e+00 4.945363e-04 285.87 -2.00 20.00 -2.00 317.05 0.00e+00 2.264 0.000 302.00 328.00 3 1.6444e+00 6.9368e-04 2.6152e-02 -6.0000e+00 2.7183e-02 1.6204e-02 7.8711e-04 1.3225e-02 -6.0000e+00 2.9537e-02 3.6916e-03 4.7661e-04 6.5178e-03 -6.0000e+00 1.7644e-02 -8.7665e-03 2.3372e-04 1.9499e-03 -6.0000e+00 7.3444e-03 7.9198e-03 3.9022e-04 1.6141e-05 2.1968e-05 -6.0000e+00 5.6112e-04 6.1343e-02 -9.7000e-05 12 9 8 11 8 0 92.78 23.04 0.34 0.06134 0.06428 361 83 1 5 0 135.120 26.41 20.00 23.04 21.83 22.2 993.65 141 613 -2560 -6196 -5414 -4072 -2848 -1240 -3470 -6334 -6646 -5316 -2068 -731 519 34 155 1795 1385 2160 474 806 1652 1783 1040 -265 -1842 -2104 -1185 -803 1421 1182 334 -4061 -5513 -4353 -2899 -714 -152 -788 -958 -175 121 381 908 641 -20 -187 -525 500 1558 1052 1327 1033 525 1298 117 -436 -446 376 1622 2686 2935 1905 -222 -1263 -846 -24 2321 1315 803 1075 847 853 -425 -1486 -2369 -2523 -1578 -2105 -2439 -2579 -2744 -1300 -195 327 1173 1060 1502 1069 474 -651 -1025 -113 -260 -123 546 984 -116 -868 -1616 -1690 -362 -277 -1682 -1893 -985 -750 788 1242 1054 529 325 -89 -137 123 398 370 788 191 399 676 1116 723 900 -379 -203 783 13 -467 -1013 -1151 -228 180 225 77 619 669 374 -73 -416 -1137 -501 13 58 -250 -587 -468 -339 -252 -121 -374 -720 -768 -644 -275 -111 88 6 30 355 285 456 103 175 364 413 255 -67 -461 -504 -270 -183 339 308 93 -1177 -1568 -1237 -901 -257 -64 -344 -453 -86 60 192 456 321 -10 -91 -254 245 798 580 771 626 329 824 76 -282 -285 241 1075 1899 2225 1515 -177 -948 -594 -17 1737 1102 725 995 777 746 -348 -1114 -1652 -1737 -1153 -1732 -2244 -2587 -2691 -1331 -211 375 1399 1289 1793 1225 507 -700 -1037 -114 -280 -134 653 1269 -157 -1155 -2015 -1966 -409 -327 -2148 -2565 -1384 -1101 1114 1852 1631 819 482 -134 -192 165 538 527 1189 281 594 985 1697 1060 1259 -511 -266 1040 18 -714 -1621 -1744 -353 291 383 137 1125 1230 689 -132 -728 -1941 -851 SS 20231001T132535.7Z 8674.559441 295 1 48.73 2 63.08 121.80 91.09 290.08 0.00 1 0.00 1 0 17 1.786e-02 1.007e-02 1.540e-03 4.448e-04 2.531024e-01 2.302915e-04 2.977753e-03 -6.000000e+00 1.060678e-02 227.48 -2.00 3.51 -2.00 317.71 0.00e+00 1.438248e-03 3.744686e-05 4.824302e-04 -6.000000e+00 4.780780e-04 285.87 -2.00 20.00 -2.00 316.89 0.00e+00 2.196 0.000 302.00 328.00 3 1.5109e+00 6.1186e-04 2.5357e-02 -6.0000e+00 2.6273e-02 1.5166e-02 6.9304e-04 1.2806e-02 -6.0000e+00 2.8550e-02 3.1497e-03 4.1592e-04 6.2982e-03 -6.0000e+00 1.7053e-02 -8.4853e-03 2.0214e-04 1.8695e-03 -6.0000e+00 7.0979e-03 9.7973e-03 1.4890e-04 1.4332e-05 2.0908e-05 -6.0000e+00 5.4242e-04 6.1560e-02 -1.2626e-04 12 8 8 10 0 0 85.02 23.06 0.32 0.06156 0.06268 425 98 1 5 0 114.630 26.41 20.00 23.06 22.22 22.2 996.76 1519 158 -1799 -5021 -5836 -4172 -2583 -766 -2748 -6164 -6330 -4046 -1656 -550 633 -435 267 1792 1717 2419 615 906 1537 1858 1016 -122 -1823 -1817 -1414 -306 1687 1383 471 -4227 -5759 -4541 -2871 -582 -126 -732 -931 -251 25 337 818 369 -21 -205 -420 447 1388 1051 1352 879 582 1260 163 -409 -404 533 1566 2684 2660 1868 -468 -1147 -985 -119 2268 1341 781 1148 750 768 -388 -1453 -2306 -2528 -1480 -2091 -2386 -2602 -2872 -1388 -244 323 1143 1109 1432 1092 562 -609 -998 -169 -265 -165 508 980 -3 -844 -1579 -1647 -438 -296 -1832 -1902 -961 -695 817 1214 1044 597 384 -55 -204 96 380 348 777 149 443 649 1082 779 922 -447 -216 801 -14 -442 -971 -1184 -276 118 215 47 615 678 443 -87 -360 -1139 -524 147 17 -190 -512 -551 -378 -247 -81 -319 -758 -789 -522 -236 -89 114 -86 55 377 375 541 142 209 360 456 265 -33 -484 -459 -342 -73 422 377 137 -1285 -1718 -1351 -932 -219 -56 -332 -458 -128 13 176 428 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