File name: Pandora64s1_NewHavenCT_20230710_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230711T100947.7Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230710_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: 20230710 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 20230710T122027.3Z 8591.514205 274 1 5.61 2 60.18 85.60 37.15 211.49 0.00 1 0.00 1 0 25 3.279e-02 1.110e-02 1.846e-02 6.924e-03 2.784045e-01 3.775469e-03 3.389379e-03 -6.000000e+00 2.021671e-02 232.95 -2.00 3.52 -2.00 316.84 0.00e+00 1.586658e-03 4.904720e-04 1.237907e-04 -6.000000e+00 8.972130e-04 288.82 -2.00 20.00 -2.00 316.03 0.00e+00 2.002 0.000 302.00 328.00 3 4.8313e+00 9.9704e-03 2.5063e-02 -6.0000e+00 5.0746e-02 6.8865e-02 1.1093e-02 1.4866e-02 -6.0000e+00 5.4584e-02 -1.3245e-02 6.4902e-03 7.1755e-03 -6.0000e+00 3.2494e-02 -7.1109e-04 3.0867e-03 2.1785e-03 -6.0000e+00 1.3760e-02 3.8995e-04 -8.5033e-04 2.1437e-04 2.6002e-05 -6.0000e+00 9.7651e-04 -7.9571e-03 -2.2636e-05 12 9 9 12 1 1 999.00 21.33 0.02 -0.00796 -0.01435 1 4 1 5 0 2712.470 25.90 19.96 21.33 30.26 38.6 1058.39 1174 -1893 -12475 11746 -27780 925 736 -2641 1240 1708 6379 -310 -3698 4537 3647 -3976 -2025 2478 2397 5584 -914 1508 2633 2956 -497 455 1034 -5547 1790 -3500 2751 -2997 -467 1279 -1739 -1072 -2882 -1460 1074 309 -767 705 725 -1251 -389 -276 210 -859 1321 -2038 2468 -265 3821 970 -259 -1746 553 -20 530 568 256 566 1324 2150 2087 -2431 -194 271 -172 1798 915 -227 -323 444 974 -980 -332 -2313 398 514 -863 -157 -1953 -3108 -1283 369 -86 795 550 1074 -303 -136 -1407 -728 461 203 -721 473 1043 -592 -944 -1714 -1785 32 -94 -1356 -760 675 -658 1138 1701 1212 515 1352 -228 -126 -169 -738 -235 487 -191 -167 724 -329 717 -8 -46 1035 1364 400 915 -1167 -468 -202 486 -459 163 218 105 -1088 39 -566 152 -266 -1975 1402 -4285 113 97 -377 185 262 926 -52 -735 949 832 -1062 -550 678 678 1589 -280 447 802 942 -162 151 349 -1878 542 -1141 910 -1067 -176 470 -618 -395 -1208 -674 548 180 -463 436 462 -814 -252 -178 132 -537 800 -1308 1618 -182 2653 728 -193 -1349 422 -15 395 428 203 465 1156 1882 1830 -2062 -161 223 -150 1661 874 -225 -314 424 880 -846 -265 -1853 337 471 -856 -164 -2115 -3480 -1473 442 -105 974 669 1266 -345 -147 -1487 -771 503 237 -908 624 1363 -779 -1173 -2055 -2154 39 -120 -1813 -1035 920 -936 1685 2531 1794 752 1872 -307 -168 -223 -1024 -338 705 -280 -245 1030 -462 981 -11 -60 1351 1844 561 1336 -1730 -709 -311 768 -760 267 363 173 -1808 63 -903 SS 20230710T122618.1Z 8591.518265 277 1 3.84 2 59.09 86.52 37.71 213.64 0.00 1 0.00 1 0 17 1.483e-02 7.954e-03 6.154e-03 2.670e-03 2.684423e-01 1.453875e-03 3.218973e-03 -6.000000e+00 9.148222e-03 232.95 -2.00 3.52 -2.00 316.49 0.00e+00 2.551071e-04 1.738482e-04 1.042971e-04 -6.000000e+00 4.059739e-04 288.82 -2.00 20.00 -2.00 315.69 0.00e+00 1.939 0.000 302.00 328.00 3 3.2717e+00 3.8196e-03 2.4152e-02 -6.0000e+00 2.2963e-02 3.5047e-02 4.2425e-03 1.4138e-02 -6.0000e+00 2.4698e-02 -4.4202e-03 2.4550e-03 6.8184e-03 -6.0000e+00 1.4702e-02 -3.0477e-03 1.1460e-03 1.8549e-03 -6.0000e+00 6.2275e-03 2.0459e-03 -1.1655e-04 8.2276e-05 2.3822e-05 -6.0000e+00 4.4164e-04 -7.4427e-03 6.6688e-05 12 9 1 12 1 1 61.48 21.30 0.22 -0.00744 -0.00832 6 22 1 5 0 523.090 25.79 20.01 21.30 30.25 38.9 1059.37 -115 -2751 -1135 -3145 -10822 -2161 -554 1839 3293 -1497 -2980 -2546 1644 -657 253 1416 89 -64 720 2371 1439 875 1239 490 282 920 -8 -1361 -817 632 1319 -16 1089 907 -4769 -1031 -2536 -1045 54 705 -1077 -1598 254 -1018 -764 199 -1525 -604 -980 41 1197 1294 1013 1748 172 790 1099 824 -125 703 351 1466 1487 2248 458 -908 36 -1599 340 1220 465 347 -412 803 -123 -362 -478 -1622 -636 -208 -889 -1300 -1848 -1889 -559 -263 117 80 725 386 257 523 46 -171 391 -60 -131 948 380 -608 -364 -1481 -1514 47 607 -1763 -156 -449 -284 145 1040 303 44 -202 -59 230 713 89 325 435 0 -338 801 -290 1059 922 -834 628 967 489 623 -243 -448 -251 543 -120 -497 -106 -31 -116 -11 -970 -18 -470 -192 -495 -1691 -312 -85 307 592 -292 -585 -535 377 -161 69 415 27 -21 238 801 495 301 445 173 104 346 -3 -478 -294 228 472 -6 448 370 -1940 -423 -1183 -525 30 439 -685 -1061 170 -690 -517 133 -1009 -390 -628 27 822 943 735 1324 135 630 885 658 -99 561 294 1240 1344 2001 421 -781 30 -1336 306 1152 447 343 -402 777 -110 -309 -403 -1358 -542 -188 -895 -1371 -1970 -2128 -641 -318 141 98 873 460 296 580 48 -181 422 -69 -164 1229 507 -790 -443 -1773 -1774 58 762 -2352 -207 -626 -401 207 1533 444 64 -284 -78 301 950 119 450 628 -1 -483 1148 -399 1435 1195 -1060 817 1287 691 883 -355 -674 -381 837 -193 -817 -170 -52 -186 -17 -1531 SS 20230710T123046.7Z 8591.521373 280 1 38.34 2 58.25 87.23 38.16 215.25 0.00 1 0.00 1 0 17 1.602e-02 7.802e-03 2.806e-03 1.165e-03 2.623105e-01 6.350857e-04 3.141337e-03 -6.000000e+00 9.883093e-03 232.95 -2.00 3.52 -2.00 316.58 0.00e+00 4.541064e-04 7.745623e-05 9.889673e-05 -6.000000e+00 4.385637e-04 288.82 -2.00 20.00 -2.00 315.77 0.00e+00 1.893 0.000 302.00 328.00 3 4.0699e+00 1.6705e-03 2.3594e-02 -6.0000e+00 2.4807e-02 4.1331e-02 1.8583e-03 1.3825e-02 -6.0000e+00 2.6681e-02 -2.0503e-03 1.0785e-03 6.6724e-03 -6.0000e+00 1.5883e-02 -3.7150e-03 5.0547e-04 1.8320e-03 -6.0000e+00 6.7285e-03 9.6812e-04 5.4847e-05 3.5981e-05 2.2902e-05 -6.0000e+00 4.7704e-04 -8.4028e-03 5.8456e-05 12 9 1 12 1 1 99.96 21.30 0.07 -0.00840 -0.00799 44 14 1 5 0 847.990 25.79 20.01 21.30 30.56 38.7 1060.30 604 -828 689 -2214 -13951 -1270 -477 -600 2069 62 -3932 -1300 -269 -900 1399 730 -1029 641 700 1549 1471 -112 2064 962 1163 1055 629 -1812 -467 -748 1635 110 2436 378 -4173 -2842 -1321 -930 13 318 -645 -1441 -38 -1136 -296 -75 -708 128 -811 -847 1045 839 502 1269 272 671 975 617 220 340 580 1091 1306 2243 827 -1143 -221 -1001 624 1684 341 596 -139 386 158 -943 -636 -1947 -659 -170 -1078 -805 -2056 -1948 -465 -511 139 109 699 549 387 438 -660 25 809 450 -198 1095 648 -459 -382 -1428 -1773 123 369 -1332 -307 -502 -291 303 708 302 153 -31 -83 -207 645 -237 628 287 -36 -279 659 159 1033 901 -803 563 989 221 482 -390 -585 -400 575 -126 -558 308 131 -441 -75 -691 90 -132 109 -328 -2135 -172 -69 -97 355 11 -733 -254 -59 -210 360 204 -302 194 219 499 477 -37 692 343 430 375 234 -646 -157 -256 588 43 933 146 -1588 -1116 -573 -443 7 189 -413 -966 -26 -779 -201 -51 -469 83 -523 -559 723 584 369 972 214 511 750 495 175 274 463 932 1133 2011 724 -989 -182 -831 560 1587 329 589 -136 375 142 -811 -534 -1626 -560 -154 -1084 -845 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