File name: Pandora206s1_BuffaloNY_20241106_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T094417.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20241106_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20241106 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: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20241106T151146.9Z 9076.633182 132 1 24.01 2 64.15 151.29 108.79 111.85 0.00 1 0.00 1 0 25 1.394e-01 2.362e-02 1.024e-01 1.782e-02 2.728162e-01 8.699008e-03 3.267389e-03 -6.000000e+00 7.715271e-02 223.44 -2.00 3.55 -2.00 318.03 0.00e+00 6.927475e-05 1.537778e-03 3.010441e-04 -6.000000e+00 3.397588e-03 278.75 -2.00 20.00 -2.00 317.38 0.00e+00 2.280 0.000 302.00 328.00 3 7.6083e+00 2.3133e-02 2.6152e-02 -6.0000e+00 1.9020e-01 8.9969e-02 2.6336e-02 1.3965e-02 -6.0000e+00 2.0718e-01 5.5033e-02 1.7384e-02 6.9092e-03 -6.0000e+00 1.2353e-01 -2.8159e-02 9.1149e-03 2.0259e-03 -6.0000e+00 5.3174e-02 1.9426e-05 4.0962e-04 4.9600e-04 2.0351e-05 -6.0000e+00 3.5456e-03 -4.3771e-02 4.5130e-04 12 8 8 10 0 0 21.80 18.51 2.44 -0.04377 -0.04069 6 6 2 8 0 4000.000 15.00 18.51 22.13 21.98 21.88 24.4 980.93 31822 51658 28558 5509 9344 4116 6823 27361 18028 16892 37543 37596 -3572 5241 -6924 5465 123882 5125 4235 1887 3201 -1379 -1020 -1978 -353 -17967 8493 11709 -7147 3277 9665 2573 19677 -1119 1782 -6159 -5984 -1974 5676 -3829 -3867 -5169 6081 674 -152 -446 -7388 -7563 153 727 -1142 -9 -4740 -8533 -405 4126 593 -2172 1555 -3975 817 4261 3448 -1324 9584 -2431 -2141 -5303 1983 -2139 2970 2683 2382 1900 -1042 4886 3346 -1510 -5028 -3372 -1931 2429 -4757 1390 -224 5308 3393 1974 332 1499 -2595 1429 1782 -4413 -110 -2724 -4218 1875 1972 -697 2592 -525 1598 -458 -7 -52 -1755 -6 -1456 735 477 754 -2596 -1009 -1376 1288 -2070 201 -362 -155 -598 -1905 1524 685 1625 -723 -904 -885 2086 -2039 3684 164 -983 761 -1023 1376 -317 2192 1320 450 -1522 652 -2663 1517 2364 1681 398 571 253 427 1554 1274 1321 2393 2374 -366 570 -978 775 6089 802 701 332 574 -257 -190 -398 -74 -4705 1752 2307 -1557 619 1814 561 3933 -296 433 -1513 -1581 -574 1835 -1582 -1791 -2545 2772 330 -74 -220 -3861 -3855 73 343 -575 -5 -2738 -5425 -248 2534 374 -1412 983 -2612 520 2797 2487 -1050 7213 -1850 -1542 -3794 1358 -1736 2473 2359 2120 1697 -899 3567 2219 -981 -3441 -2556 -1630 2182 -4803 1417 -239 5782 3974 2431 421 1822 -3036 1514 1715 -4267 -106 -2978 -5198 2349 2666 -960 3357 -646 1773 -523 -9 -69 -2373 -8 -2157 1133 786 1268 -4377 -1564 -2024 1705 -2788 275 -531 -235 -939 -2985 2333 1016 2249 -977 -1155 -1152 2726 -2980 5372 256 -1576 1232 -1735 2408 -578 3984 2453 820 -2717 1133 -4633 SS 20241106T155832.7Z 9076.665656 156 1 26.82 2 60.86 163.39 101.35 118.61 0.00 1 0.00 1 0 17 1.923e-02 7.865e-03 1.660e-02 5.156e-03 2.352149e-01 2.524532e-03 2.904555e-03 -6.000000e+00 1.064373e-02 223.43 -2.00 3.55 -2.00 317.34 0.00e+00 -1.183395e-04 3.652939e-04 6.974618e-05 -6.000000e+00 4.686492e-04 278.75 -2.00 20.00 -2.00 316.68 0.00e+00 2.044 0.000 302.00 328.00 3 6.3169e+00 6.6239e-03 2.3240e-02 -6.0000e+00 2.6239e-02 2.5705e-02 7.4705e-03 1.2104e-02 -6.0000e+00 2.8580e-02 1.5411e-02 4.5492e-03 6.0229e-03 -6.0000e+00 1.7041e-02 -1.0143e-02 2.2845e-03 1.7404e-03 -6.0000e+00 7.3386e-03 9.9206e-05 8.3571e-05 1.4316e-04 1.8976e-05 -6.0000e+00 4.8905e-04 -4.9997e-02 2.8312e-04 11 8 0 10 0 0 99.99 18.52 0.39 -0.05000 -0.04937 11 11 4 8 0 2438.010 15.00 18.52 23.55 21.98 21.88 24.5 989.47 9598 12225 683 -1826 -5953 -124 -3479 4654 -1264 4245 734 1955 -2892 -2739 437 -1930 1343 220 166 1052 1840 -1622 882 793 1243 -2199 35 114 -1729 402 -1132 141 1618 -487 -2673 -1706 -3508 -1899 1279 -1562 234 -1246 666 -1217 -815 -1208 -907 -2376 3751 -1235 -645 1518 441 6 319 1455 1232 1003 37 -478 -362 2253 1277 2277 -556 -107 -717 -923 -196 23 1138 384 572 1312 1104 664 -160 -1713 -1123 -345 -527 -71 -2725 -1321 -1014 -235 438 428 5 661 -78 192 226 -144 -777 -2012 606 1270 941 127 365 -1058 -662 -928 43 -755 -1245 -311 -291 348 1430 645 -263 86 -251 387 -101 -157 -332 -378 -299 -216 105 47 523 246 -22 960 881 -343 969 165 -265 -236 -458 -20 110 267 550 -371 49 -398 -499 931 1295 85 -225 -668 -12 -363 496 -161 558 100 257 -436 -471 83 -420 297 51 40 258 461 -416 221 211 347 -663 11 33 -460 103 -299 39 478 -157 -831 -505 -1099 -669 522 -761 125 -707 383 -726 -480 -715 -527 -1357 1965 -669 -362 896 278 4 221 1012 878 719 26 -336 -258 1666 1004 1911 -490 -87 -551 -680 -146 19 1034 360 541 1233 979 549 -119 -1241 -816 -269 -451 -67 -2776 -1379 -1125 -272 532 540 6 822 -90 209 229 -138 -775 -2169 705 1589 1242 168 467 -1308 -753 -1067 54 -984 -1699 -429 -419 528 2220 1033 -411 129 -355 501 -133 -208 -471 -564 -462 -330 157 70 727 337 -28 1209 1182 -484 1424 246 -401 -367 -757 -34 191 475 968 -660 85 -661 -826 SS 20241106T162030.9Z 9076.680913 169 1 45.96 2 59.92 169.36 98.00 121.90 0.00 1 0.00 1 0 17 1.234e-02 6.010e-03 8.621e-03 2.384e-03 2.271998e-01 1.166157e-03 2.811505e-03 -6.000000e+00 6.830358e-03 223.43 -2.00 3.55 -2.00 317.84 0.00e+00 1.802648e-04 1.873620e-04 7.579659e-05 -6.000000e+00 3.007969e-04 278.75 -2.00 20.00 -2.00 317.15 0.00e+00 1.987 0.000 302.00 328.00 3 4.5263e+00 3.0872e-03 2.2559e-02 -6.0000e+00 1.6838e-02 -6.3132e-03 3.4926e-03 1.1711e-02 -6.0000e+00 1.8342e-02 1.7579e-02 2.1662e-03 5.8460e-03 -6.0000e+00 1.0936e-02 -1.2237e-02 1.0991e-03 1.7047e-03 -6.0000e+00 4.7088e-03 6.4563e-04 -1.1902e-04 6.7832e-05 1.8873e-05 -6.0000e+00 3.1394e-04 -4.9467e-02 2.4144e-04 10 0 0 10 0 0 99.99 18.53 0.49 -0.04947 -0.05036 501 155 1 8 0 91.540 15.00 18.53 25.15 21.98 21.88 24.7 1000.21 -3815 1717 -3905 1279 -3423 3352 45 3315 1679 3492 3042 568 1701 1841 1798 303 556 -811 1291 -1090 732 -1868 1148 -167 1128 -700 -558 805 -1511 1218 1032 499 256 283 -2748 -2447 -2996 -2139 -570 -1315 -808 -1994 -819 -1795 -116 -1361 -787 -1561 -88 -540 1454 35 819 827 590 742 1035 800 217 1016 649 1682 1519 2291 538 179 -104 -312 890 564 840 802 211 561 1203 499 464 -794 615 -738 -820 -876 -1883 -1673 -1156 -652 -240 -58 -87 517 9 598 -578 538 169 217 23 715 186 -154 -270 -570 -626 98 -506 -821 -806 -1041 -472 61 216 250 47 28 -41 34 121 116 49 213 -179 8 16 180 485 668 383 1318 586 426 569 68 143 -181 490 -137 -17 -107 65 -543 18 -587 -336 -376 179 -451 136 -332 279 4 317 184 408 355 67 216 266 295 57 109 -165 268 -240 163 -422 252 -39 276 -182 -148 201 -352 263 233 121 67 79 -747 -618 -817 -661 -207 -576 -393 -1027 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