File name: Pandora64s1_NewHavenCT_20250418_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250419T050001.4Z 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_20250418_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: 20250418 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 20250418T111537.5Z 9239.469184 225 1 47.84 2 78.16 85.68 77.79 210.70 0.00 1 0.00 1 0 25 3.322e-01 3.018e-02 1.070e-01 5.009e-03 7.097527e-01 2.831927e-03 9.677057e-03 -6.000000e+00 2.009882e-01 228.79 -2.00 3.52 -2.00 321.17 0.00e+00 2.539904e-02 1.263809e-03 5.460567e-03 -6.000000e+00 8.779129e-03 280.42 -2.00 20.00 -2.00 320.65 0.00e+00 4.720 0.002 302.00 328.00 3 3.1677e+00 9.2355e-03 6.1486e-02 -6.0000e+00 5.0074e-01 5.2717e-01 1.1356e-02 3.7990e-02 -6.0000e+00 5.4181e-01 -7.8078e-01 9.5429e-03 2.8618e-02 -6.0000e+00 3.2199e-01 3.4831e-01 4.6717e-03 2.0815e-02 -6.0000e+00 1.3581e-01 7.9479e-05 -3.7811e-03 1.4304e-04 3.5934e-04 -6.0000e+00 9.8900e-03 1.1541e-02 -3.0548e-04 12 9 8 11 8 0 99.94 21.12 0.12 0.01154 -0.01687 45 11 1 5 0 1063.010 25.58 20.02 21.12 11.30 38.8 973.98 -50128 -60274 -14437 -1213 -224052 -32367 -60487 -66510 -46396 -81350 -67941 -64950 -31078 3786 26351 21175 37400 57414 57299 46068 85248 78289 93300 -1539 7970 10472 12575 -3062 9583 -37874 53403 24869 59073 30443 47297 7181 38672 17503 36589 19064 39285 26436 33543 7308 31597 30355 43544 34104 30234 11582 38932 26740 35102 17027 17174 12497 9648 4338 9051 10039 12723 10994 15138 10813 20544 7410 11622 13197 6601 7163 4643 3240 -789 2056 -2885 -4492 1450 -3156 -1291 1814 -2837 -512 -3044 -4515 -2528 -2605 -1740 -1298 -711 186 -4514 -3472 -7243 -5442 -4430 -2344 -3139 1131 474 552 -1350 -1274 -5593 -1284 -2083 -2721 -2038 -225 -1187 -52 1220 -86 -305 -481 -748 -1025 638 328 1828 1859 2402 2114 2794 2824 1369 2261 -120 1054 2252 804 1144 -627 -180 -713 306 -470 -415 -11 534 -465 -670 -2590 -1183 -1608 -270 -18 -22823 -514 -1182 -1326 -736 -1788 -1355 -1586 -746 86 611 612 1020 1402 1446 1312 1561 1434 1405 -56 253 320 374 -108 328 -2319 1782 1187 2452 1544 2041 434 1999 1157 2268 1554 2775 2245 2823 829 2944 2999 3943 3588 3476 1727 4885 4099 5262 2976 2996 2276 1780 819 1607 1821 2441 2435 3660 3029 5318 2146 3292 3826 2289 2749 1916 1363 -328 770 -1027 -1492 450 -1107 -525 791 -1490 -295 -1920 -3047 -1785 -1932 -1330 -1000 -537 132 -3150 -2291 -4943 -3967 -3700 -2103 -3281 1283 568 641 -1481 -1256 -5436 -1245 -2169 -2981 -2391 -281 -1577 -77 1932 -142 -500 -763 -1139 -1544 979 529 3053 3135 3910 3309 4219 4082 1950 3103 -168 1607 3857 1466 2264 -1336 -381 -1613 728 -1158 -1033 -28 1295 -1074 -1463 -5754 SS 20250418T112012.6Z 9239.472368 228 1 49.14 2 77.30 86.42 78.22 211.59 0.00 1 0.00 1 0 25 3.806e-01 3.547e-02 1.454e-01 6.210e-03 6.539082e-01 3.471230e-03 9.851681e-03 -6.000000e+00 2.305916e-01 228.79 -2.00 3.52 -2.00 321.01 0.00e+00 3.634458e-02 1.460359e-03 6.132747e-03 -6.000000e+00 1.004871e-02 280.42 -2.00 20.00 -2.00 320.48 0.00e+00 4.424 0.002 302.00 328.00 3 3.8432e+00 1.1048e-02 5.6608e-02 -6.0000e+00 5.7454e-01 5.8841e-01 1.3173e-02 3.6756e-02 -6.0000e+00 6.2133e-01 -8.4362e-01 1.0297e-02 3.0795e-02 -6.0000e+00 3.6928e-01 3.7876e-01 5.1313e-03 2.9759e-02 -6.0000e+00 1.5600e-01 5.3970e-05 -2.5641e-03 1.7869e-04 5.0619e-04 -6.0000e+00 1.1319e-02 6.4575e-03 -7.1873e-05 12 9 8 11 8 0 98.71 21.12 0.04 0.00646 -0.01281 29 7 1 5 0 1694.330 25.68 19.99 21.12 11.57 38.8 975.13 5180 20648 257 33240 -187980 3845 -39392 -67800 120917 33172 -88354 -20237 16917 28076 77575 59184 60686 128589 70542 84542 105253 82781 125026 18796 47121 25697 18597 248 -575 -34516 40666 47712 76140 58957 42337 61594 72586 31945 47331 29279 42408 22651 28423 8744 44245 30855 39683 37471 38294 15994 43925 33208 43999 21960 19230 12530 10785 -276 8929 7451 11262 13217 13883 9616 23919 7882 8724 10927 5779 6205 2500 2624 -981 -352 -6442 -3073 2117 -4626 -6015 1208 -3406 -2756 -3824 -4401 -4578 -4187 -2129 -1539 142 386 -3534 -2207 -8463 -7254 -6328 -2496 -3245 1101 465 718 -210 -852 -5131 -2587 -1705 -2928 -2609 784 -838 216 699 -49 -237 64 -1140 -782 -276 1100 1582 2399 1821 2664 3277 3008 1844 2169 -542 1763 2193 1955 1551 -362 -493 -647 577 -750 -743 66 340 -873 -918 -2682 139 531 8 692 -25582 79 -1073 -2207 732 362 -3076 -452 371 765 1673 1837 2067 2596 2456 2560 2430 2162 2069 747 1284 836 648 11 -28 -2754 2062 2481 3573 3258 2383 3030 3379 2287 3203 2566 3414 2348 2997 1118 4460 3770 4665 4752 4741 2631 5970 5373 6705 4307 3797 2584 2202 -61 1787 1584 2531 3322 3942 2991 6920 2467 2728 3427 2114 2506 1094 1150 -424 -140 -2464 -1042 711 -1689 -2626 582 -1965 -1677 -2495 -3032 -3368 -3221 -1670 -1218 110 282 -2506 -1465 -5888 -5374 -5357 -2379 -3433 1264 564 844 -231 -850 -5288 -2704 -1792 -3255 -3114 980 -1130 321 1122 -81 -387 100 -1725 -1163 -423 1744 2635 4022 2992 4171 4951 4359 2620 3127 -798 2647 3709 3505 3029 -759 -1042 -1450 1354 -1830 -1760 164 819 -2014 -2003 -5887 SS 20250418T112606.8Z 9239.476467 231 1 48.30 2 76.19 87.38 78.80 212.73 0.00 1 0.00 1 0 17 3.139e-01 1.057e-02 9.324e-02 3.310e-03 6.348091e-01 1.841636e-03 7.355430e-03 -6.000000e+00 1.910358e-01 228.79 -2.00 3.52 -2.00 320.55 0.00e+00 2.563872e-03 7.261306e-04 2.000058e-03 -6.000000e+00 8.438421e-03 280.42 -2.00 20.00 -2.00 319.99 0.00e+00 4.092 0.001 302.00 328.00 3 3.4972e+00 5.6446e-03 5.3598e-02 -6.0000e+00 4.7547e-01 6.1327e-02 7.1893e-03 3.4997e-02 -6.0000e+00 5.1428e-01 -7.6737e-02 6.8020e-03 1.8627e-02 -6.0000e+00 3.0506e-01 2.3181e-02 3.3744e-03 6.0238e-03 -6.0000e+00 1.2870e-01 1.2780e-04 -6.3428e-04 9.8298e-05 8.5963e-05 -6.0000e+00 9.3382e-03 5.4281e-03 -8.1479e-05 12 8 8 10 0 0 99.50 21.12 0.09 0.00543 0.00066 30 7 1 5 0 1609.650 25.58 20.01 21.12 11.84 38.8 976.22 -68649 -127027 -95217 -148539 900000 -126260 -106845 -90831 -38928 -42529 -111946 -98658 -74309 -68066 4436 -29717 -43105 -12006 -28978 -5330 -8956 21126 8576 -287 -5424 10580 -30534 -5369 -12607 -45173 -8175 -5999 -13143 -5081 -4823 820 -5452 -2362 -1627 4012 -209 3179 3697 -4565 2143 7138 2558 1599 -455 -6650 4168 14981 8427 1236 1905 1412 1545 402 3185 1312 -155 3355 5602 2415 4571 -843 504 612 1965 1752 1270 1221 175 294 -51 -2441 1464 -3775 -556 -296 -1078 -2411 -2051 -2378 -430 -1104 1197 -177 1397 175 -215 -104 -1565 -1261 306 384 -212 994 547 -824 -754 -1985 -1341 344 41 -1912 -566 660 108 143 1256 173 561 10 -384 -585 302 -81 588 412 103 65 1032 761 283 432 -1937 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