File name: Pandora64s1_NewHavenCT_20250417_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250418T051407.3Z 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 v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250417_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: 20250417 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 20250417T111652.8Z 9238.470056 227 1 48.29 2 78.19 86.12 82.85 221.23 0.00 1 0.00 1 0 17 5.757e-01 1.959e-02 9.455e-02 2.825e-03 8.267688e-01 1.613603e-03 1.002506e-02 -6.000000e+00 3.487724e-01 228.71 -2.00 3.52 -2.00 321.31 0.00e+00 1.151458e-02 7.972116e-04 5.384412e-03 -6.000000e+00 1.519287e-02 280.31 -2.00 20.00 -2.00 320.82 0.00e+00 4.732 0.002 302.00 328.00 3 2.2132e+00 5.4609e-03 6.7709e-02 -6.0000e+00 8.6886e-01 3.2843e-01 7.4273e-03 4.8875e-02 -6.0000e+00 9.3963e-01 -4.7146e-01 7.4311e-03 3.0595e-02 -6.0000e+00 5.5845e-01 1.9782e-01 3.5084e-03 1.3752e-02 -6.0000e+00 2.3601e-01 1.9134e-04 -1.0954e-03 7.6928e-05 2.5476e-04 -6.0000e+00 1.7120e-02 5.1680e-03 -5.5365e-05 12 9 8 11 8 0 96.22 21.12 0.18 0.00517 -0.00306 83 20 1 5 0 581.680 25.68 19.99 21.12 11.45 38.8 974.20 -194849 -163732 -181521 -175243 -327357 -182617 -201242 -116276 -162703 -123859 -154027 -120489 -87085 -95608 -58952 -42400 -33258 -1813 -22914 -15877 -45027 30888 -24504 5692 -27809 -15293 -41308 -31126 -26507 -60816 -4031 10006 19828 12839 5317 9645 17690 6027 19070 18163 24935 17688 24862 9398 15177 20509 26340 16927 14431 6494 25103 18340 25522 16519 14381 11229 11578 5209 10134 7712 7920 8743 12779 8653 13406 5892 7997 3779 5956 4688 3448 2940 2663 168 -135 -2610 1267 -3661 -1241 -492 -1317 -1202 -2268 -2237 -1535 -1471 -2 -299 425 -254 -1837 -1550 -4058 -2674 -1519 -181 -1132 812 162 -129 -767 -2330 -3623 -577 -838 -1740 -1257 -474 -606 251 644 177 53 -132 -757 -833 213 472 1280 1386 883 908 1868 1466 1140 742 -1281 780 994 666 792 -355 -610 -540 337 -341 -498 493 591 -284 -222 -1659 -2537 -1939 -2454 -2268 -15027 -2364 -2973 -865 -2061 -1126 -2079 -1493 -1055 -1685 -925 -677 -550 -24 -404 -271 -1017 323 -466 83 -582 -291 -1024 -703 -621 -2208 -115 295 612 392 168 307 585 264 874 964 1349 1098 1519 687 1087 1453 1853 1407 1326 715 2608 2259 3195 2237 2056 1704 1759 823 1489 1179 1302 1619 2610 2067 3148 1493 2076 1090 1915 1581 1244 1076 929 60 -44 -799 375 -1244 -490 -212 -666 -690 -1413 -1477 -1075 -1001 -1 -210 291 -179 -1235 -1007 -2745 -1975 -1202 -165 -1212 902 189 -147 -808 -2390 -3544 -570 -882 -1930 -1399 -572 -827 360 1013 291 87 -211 -1170 -1273 333 767 2154 2326 1431 1402 2770 2092 1696 1079 -1915 1196 1747 1239 1617 -737 -1355 -1277 797 -833 -1230 1210 1408 -676 -494 -3538 SS 20250417T114527.5Z 9238.489902 239 1 48.26 2 72.82 90.80 86.46 226.18 0.00 1 0.00 1 0 17 1.563e-01 7.663e-03 1.141e-02 5.033e-04 5.905392e-01 2.743611e-04 6.813627e-03 -6.000000e+00 9.469939e-02 228.71 -2.00 3.52 -2.00 319.82 0.00e+00 1.562977e-03 8.665102e-05 6.634234e-04 -6.000000e+00 4.124976e-03 280.31 -2.00 20.00 -2.00 319.23 0.00e+00 3.335 0.001 302.00 328.00 3 7.6897e-01 7.8895e-04 4.5805e-02 -6.0000e+00 2.3592e-01 2.0120e-02 9.5156e-04 3.1028e-02 -6.0000e+00 2.5512e-01 -1.8380e-02 8.3195e-04 1.5931e-02 -6.0000e+00 1.5163e-01 -2.3560e-03 4.2980e-04 5.0910e-03 -6.0000e+00 6.4087e-02 4.1902e-03 -4.2908e-04 1.4778e-05 5.8996e-05 -6.0000e+00 4.6480e-03 3.9124e-03 -8.1915e-05 11 8 0 10 0 0 41.60 21.12 0.17 0.00391 0.00069 698 168 1 5 0 69.130 25.68 19.99 21.12 12.56 38.9 979.95 -59429 -53336 -48328 -54326 -82028 -49637 -56108 -38933 -40903 -35534 -44931 -29122 -26056 -15428 -12918 -6049 -9312 -2131 -5874 161 -6896 -3614 -4811 -3142 -5422 -2281 -5050 -4841 -6567 -4745 -2083 -432 1609 -509 -6683 -4215 -2651 -948 677 688 -754 -786 192 -621 231 278 -257 43 -342 -50 1870 -705 1721 1840 985 1069 1434 285 272 147 806 1610 1943 2933 1150 -828 15 -1349 1212 1802 794 811 126 406 -358 -1357 -1287 -2424 -545 -674 -1077 -654 -1889 -1963 -438 -376 483 554 1313 560 489 271 -803 -231 590 220 -46 1294 650 -354 -541 -1885 -1993 337 351 -1398 -391 -850 -121 509 839 337 153 43 -356 -307 358 -129 749 397 -156 -320 734 241 1016 444 -1423 399 767 264 317 -616 -748 -429 422 -205 -375 581 470 -170 180 -776 -717 -673 -607 -680 -1300 -599 -807 -539 -648 -575 -860 -573 -625 -414 -375 -189 -332 -78 -237 6 -303 -157 -230 -161 -302 -129 -293 -273 -387 -309 -156 -36 150 -49 -662 -438 -285 -121 103 121 -147 -163 41 -136 51 63 -60 10 -86 -13 517 -219 568 654 367 414 563 112 104 57 332 679 909 1478 589 -421 7 -735 680 1126 532 553 83 252 -217 -763 -705 -1409 -333 -479 -820 -555 -1629 -1799 -424 -383 506 585 1353 549 448 252 -741 -213 610 245 -55 1698 840 -468 -666 -2262 -2304 402 422 -1782 -527 -1171 -173 793 1332 546 243 68 -536 -453 540 -204 1181 636 -245 -509 1125 355 1505 638 -2066 588 1255 453 559 -1146 -1404 -851 848 -426 -793 1229 974 -337 353 -1470 SS 20250417T115203.7Z 9238.494487 243 1 48.24 2 71.58 91.89 87.34 227.28 0.00 1 0.00 1 0 17 1.048e-01 7.648e-03 7.639e-03 4.238e-04 5.529690e-01 2.299000e-04 6.422828e-03 -6.000000e+00 6.348825e-02 228.71 -2.00 3.52 -2.00 319.56 0.00e+00 1.018813e-03 6.680088e-05 6.277253e-04 -6.000000e+00 2.765393e-03 280.31 -2.00 20.00 -2.00 318.95 0.00e+00 3.124 0.001 302.00 328.00 3 7.0219e-01 6.4918e-04 4.2873e-02 -6.0000e+00 1.5816e-01 1.5575e-02 7.6920e-04 2.8962e-02 -6.0000e+00 1.7104e-01 -1.3899e-02 6.3885e-04 1.4620e-02 -6.0000e+00 1.0165e-01 -3.3335e-03 3.3265e-04 4.3851e-03 -6.0000e+00 4.2966e-02 5.7369e-03 -3.8764e-04 1.2560e-05 5.1468e-05 -6.0000e+00 3.1160e-03 3.8919e-03 -7.6637e-05 11 8 0 10 0 0 9.14 21.12 0.18 0.00389 0.00098 824 198 1 5 0 58.540 25.68 20.00 21.12 13.28 39.2 983.65 -29962 -39962 -29222 -47335 -50536 -42192 -27224 -33225 -22920 -28227 -24063 -24025 -10451 -12029 -3917 -5170 -3205 -2780 -2447 -858 -2074 -4450 -1232 -2373 -2007 -1347 -3571 -5148 -4663 -3811 -659 -740 2115 -941 -5577 -3348 -2857 -873 -306 91 -931 -718 -90 -605 -45 526 -417 352 -822 205 1635 -159 1077 1762 454 1265 1189 762 -89 281 524 1764 1808 3086 985 -783 -216 -1263 950 1765 694 786 10 526 -457 -1253 -1225 -2124 -687 -526 -1252 -717 -1966 -1889 -472 -223 444 518 1244 633 548 268 -817 -158 726 155 -67 1193 621 -409 -550 -1954 -2036 221 336 -1343 -322 -940 -133 408 971 330 268 12 -327 -315 433 -163 773 420 -101 -316 744 118 1020 387 -1380 366 857 301 325 -694 -746 -378 465 -192 -433 563 402 -204 187 -745 -409 -664 -454 -823 -869 -701 -434 -642 -448 -624 -544 -645 -304 -397 -144 -220 -146 -139 -129 -47 -117 -262 -76 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