File name: Pandora21s1_Bremen_20230819_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T235111.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230819_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20230819 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20230819T062548.7Z 8631.267925 121 1 6.26 2 71.19 93.60 97.64 75.20 0.00 1 0.00 1 0 17 8.780e-02 1.267e-02 8.506e-02 1.067e-02 3.593967e-01 5.646447e-03 4.698851e-03 -6.000000e+00 5.336818e-02 232.13 -2.00 3.88 -2.00 318.59 0.00e+00 4.769976e-04 1.048271e-03 1.402466e-04 -6.000000e+00 2.105033e-03 282.42 -2.00 20.00 -2.00 318.28 0.00e+00 3.063 0.001 302.00 328.00 3 4.6624e+00 1.5315e-02 3.7062e-02 -6.0000e+00 1.3492e-01 1.5926e-02 1.7149e-02 2.1001e-02 -6.0000e+00 1.4594e-01 3.6849e-03 1.2128e-02 1.0400e-02 -6.0000e+00 8.5504e-02 -4.2816e-03 6.3950e-03 2.9966e-03 -6.0000e+00 3.5351e-02 1.5570e-04 -4.7787e-04 3.3440e-04 3.5285e-05 -6.0000e+00 2.6369e-03 -1.2966e-02 0.0000e+00 12 9 9 12 1 1 999.00 22.53 0.52 -0.01297 -0.01656 1 3 1 5 0 3124.353 25.58 20.00 22.53 30.33 34.2 1024.59 -45475 1781 -6012 -1781 1023 4861 71548 -8701 -5762 -34156 4433 10158 1714 5896 4597 -7094 -6584 -10042 1522 4013 -2345 -360 6423 -7028 -659 13495 7603 -2218 13677 -8020 16787 359 7500 -8853 3532 9817 6080 5439 -4922 -3246 -5029 1108 -142 6482 6476 2135 178 -7635 332 -165 -498 -2720 3652 -1253 2848 -2511 818 -576 -1135 1402 -2650 1455 -1785 855 1200 2053 -906 1273 661 -2801 747 -1546 3418 -1637 3132 -740 1601 -74 -1392 2626 977 399 -3399 -1645 -1134 -534 -1903 552 1206 -446 -257 -50 -163 487 2227 -771 822 -60 583 -948 582 1341 -24 1178 -473 -121 472 -304 452 -151 -923 -110 -354 -2097 892 222 586 848 461 119 -869 273 -1800 -203 1494 -809 -612 1954 727 260 873 221 20 -987 218 416 288 140 -60 -578 225 -352 -306 -2579 73 -280 -78 41 180 1493 -424 -304 -2520 236 539 110 425 389 -754 -755 -1262 181 488 -312 -48 817 -1068 -101 1896 1143 -356 1822 -1297 2287 63 1341 -1935 682 1760 1192 1224 -1432 -1079 -1884 419 -56 2482 2499 860 73 -3323 135 -69 -217 -1291 1750 -660 1509 -1432 464 -333 -654 786 -1560 871 -1177 588 847 1409 -609 823 445 -2108 592 -1310 2827 -1382 2439 -555 1094 -49 -951 1883 784 351 -3282 -1643 -1180 -582 -2187 643 1411 -521 -289 -53 -163 472 2182 -825 943 -74 767 -1283 762 1657 -29 1374 -580 -155 624 -417 643 -226 -1450 -178 -570 -3324 1327 318 821 1201 679 183 -1380 432 -2837 -311 2196 -1171 -859 2665 1029 389 1364 358 32 -1687 382 755 536 265 -114 -1104 420 -643 -546 SS 20230819T063636.6Z 8631.275424 124 1 25.64 2 69.58 95.81 96.14 77.36 0.00 1 0.00 1 0 25 1.158e-01 5.991e-03 3.760e-02 3.844e-03 3.392197e-01 2.034455e-03 4.473136e-03 -6.000000e+00 7.035798e-02 232.13 -2.00 3.88 -2.00 318.67 0.00e+00 5.979606e-04 3.828457e-04 1.282366e-04 -6.000000e+00 2.775430e-03 282.42 -2.00 20.00 -2.00 318.36 0.00e+00 2.836 0.000 302.00 328.00 3 4.5592e+00 5.5177e-03 3.4572e-02 -6.0000e+00 1.7787e-01 2.5516e-02 6.1875e-03 1.9885e-02 -6.0000e+00 1.9241e-01 1.1537e-02 4.4102e-03 9.8749e-03 -6.0000e+00 1.1273e-01 -1.0880e-02 2.3296e-03 2.8506e-03 -6.0000e+00 4.6598e-02 2.1872e-04 -6.3199e-04 1.2173e-04 3.4231e-05 -6.0000e+00 3.4770e-03 -1.1536e-02 0.0000e+00 12 1 1 12 1 1 93.45 22.53 0.26 -0.01154 -0.01628 9 4 1 5 0 2562.877 25.58 20.00 22.53 30.66 34.3 1025.67 4349 -2051 -1224 4717 -818 1823 130204 14070 -8085 10732 -12230 2335 -17183 -1396 3237 -2153 -5112 3321 -1130 -2007 5662 -7403 6247 -5254 791 1099 328 -1384 -5043 -843 2479 4246 -1720 2006 -5349 -1494 4902 1894 2316 -1002 212 -964 -728 -2454 757 -432 -308 -2168 -1850 -1562 790 487 1915 1654 476 77 1335 65 166 -196 2293 935 1820 -17 317 -849 -452 1035 559 1386 236 311 -182 -99 -902 585 8 -271 -7 485 -929 -308 -768 -1094 -851 -515 0 -79 140 -2 674 796 -56 1500 150 -353 380 162 -327 22 -455 -747 50 -356 -296 -670 -617 -386 141 -281 537 50 -5 420 164 565 36 -19 -909 -238 -314 -491 -352 143 388 154 700 952 304 301 402 729 410 272 59 57 39 -39 -558 -78 -344 -324 -103 160 -90 -56 199 -34 71 1628 562 -442 527 -767 134 -1321 -107 276 -218 -574 365 -136 -255 691 -1034 784 -775 117 170 52 -216 -782 -124 374 692 -324 384 -1081 -286 934 425 613 -319 74 -363 -285 -996 301 -174 -124 -879 -747 -638 330 218 905 828 251 42 735 37 92 -108 1263 550 1144 -12 222 -584 -295 649 365 983 184 256 -153 -81 -711 423 6 -173 -4 340 -735 -266 -714 -1074 -876 -558 0 -93 165 -2 750 830 -55 1407 146 -369 432 201 -432 30 -598 -930 59 -415 -359 -859 -822 -533 203 -425 846 81 -8 661 246 802 50 -26 -1350 -368 -500 -786 -554 219 575 220 966 1293 427 449 630 1179 679 462 104 105 74 -76 -1091 -152 -655 -600 -185 SS 20230819T064157.5Z 8631.279138 128 1 50.07 2 68.78 96.91 95.40 78.43 0.00 1 0.00 1 0 25 1.033e-02 4.440e-03 6.104e-03 8.834e-04 3.268862e-01 4.690969e-04 4.327489e-03 -6.000000e+00 6.280111e-03 232.13 -2.00 3.88 -2.00 318.77 0.00e+00 2.360964e-04 8.949459e-05 1.257047e-04 -6.000000e+00 2.477328e-04 282.42 -2.00 20.00 -2.00 318.45 0.00e+00 2.736 0.000 302.00 328.00 3 2.3885e+00 1.2767e-03 3.3382e-02 -6.0000e+00 1.5877e-02 -2.5355e-03 1.4317e-03 1.9234e-02 -6.0000e+00 1.7175e-02 5.9401e-03 1.0183e-03 9.5332e-03 -6.0000e+00 1.0062e-02 -6.5412e-03 5.3448e-04 2.7457e-03 -6.0000e+00 4.1593e-03 2.1879e-03 -6.1995e-04 2.8259e-05 3.4069e-05 -6.0000e+00 3.1035e-04 -1.1576e-02 0.0000e+00 10 0 0 10 0 0 99.95 22.53 0.22 -0.01158 -0.01624 302 59 1 5 0 165.764 25.58 20.00 22.53 30.68 34.4 1025.57 -100 -3954 -3519 -5100 -4124 -2446 -1683 -2591 -1139 -1585 -800 676 -312 729 -2059 -829 -277 -567 28 -529 -242 -388 -1058 77 -192 -606 -1002 -912 -535 -500 431 1143 433 -669 -1254 -1813 -1047 -254 -163 -751 -1227 -914 -802 -1256 -544 -720 -268 -724 -450 137 1130 429 845 790 607 1018 422 644 664 817 895 1259 1292 1027 329 353 92 586 772 587 63 -80 -280 -196 -75 -1 28 43 301 -362 -369 -954 -1422 -1065 -853 -802 -420 -202 47 9 329 384 668 905 889 691 751 535 -203 -440 -259 -582 -102 203 -625 -723 -514 -498 -72 35 16 -83 -114 66 210 339 482 232 162 -413 -521 -190 -233 -67 202 321 630 1098 753 419 375 48 194 261 54 -93 -26 60 -269 -167 -262 -252 -138 -4 -191 -177 -253 -187 -104 -74 -128 -62 -93 -48 42 -22 58 -182 -81 -29 -63 3 -65 -30 -49 -139 10 -28 -93 -156 -137 -76 -76 68 182 76 -125 -231 -329 -200 -55 -42 -232 -426 -339 -309 -496 -215 -285 -105 -282 -174 53 455 187 394 391 315 543 232 355 362 441 492 732 817 701 218 242 60 364 497 421 47 -63 -227 -155 -56 -1 19 27 190 -253 -292 -792 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