File name: Pandora206s1_BuffaloNY_20230102_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T045704.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- 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_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230102_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: 20230102 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 20230102T161222.4Z 8402.675259 219 1 28.00 2 67.67 163.37 110.33 34.24 0.00 1 0.00 1 0 17 2.695e-01 2.905e-02 2.006e-01 1.874e-02 3.342316e-01 9.166252e-03 3.977317e-03 -6.000000e+00 1.477835e-01 222.99 -2.00 3.55 -2.00 318.45 0.00e+00 -1.995242e-03 1.765378e-03 1.613356e-04 -6.000000e+00 6.404842e-03 273.23 -2.00 20.00 -2.00 317.87 0.00e+00 2.610 0.000 302.00 328.00 3 7.3584e+00 2.4488e-02 3.0468e-02 -6.0000e+00 3.6454e-01 1.9435e-01 2.8075e-02 1.7196e-02 -6.0000e+00 3.9874e-01 -4.1212e-03 1.9666e-02 8.5941e-03 -6.0000e+00 2.3705e-01 -8.9029e-03 1.0425e-02 3.1890e-03 -6.0000e+00 1.0078e-01 1.6282e-05 -1.1793e-03 5.2302e-04 2.9384e-05 -6.0000e+00 6.8680e-03 1.3398e-03 2.1308e-05 12 8 8 10 0 0 16.38 17.76 3.85 0.00134 -0.00752 7 7 2 8 0 4000.000 15.00 17.76 14.17 21.27 21.17 14.3 984.01 118232 124307 24490 183245 133518 9168 1339 7194 -13167 38759 35233 39959 -8001 14476 26901 15903 37811 9649 24811 -3769 62023 69 14370 -2276 -50761 5644 4084 8383 -4849 16525 249 -7326 3735 -15365 6845 5990 -15848 19395 10912 5191 1098 -409 6650 -5418 11108 -3347 -7410 -11850 4110 -372 -18 838 -918 -3373 6109 2190 3194 2164 -253 752 329 4446 -4304 5548 794 690 -8095 454 -903 -3292 3674 895 5955 3642 3802 -243 -9 1146 -3238 -2737 143 -1203 -5728 -657 -1015 -1238 2975 1326 -2962 8533 -2677 -1428 2301 -4619 -584 -938 460 936 5488 -81 1163 -2424 -7264 -1825 1490 -1290 -862 1104 854 -148 1597 1419 -2639 -520 -1168 -261 559 -657 -1519 300 -561 2264 1235 612 1578 -2480 558 258 972 -2117 1405 -384 775 316 -65 -679 1319 1100 1567 -1919 984 -2218 -646 2160 2271 1175 3348 2440 408 70 407 -1037 2010 1869 2096 -754 1256 2381 1753 3497 1240 2862 -600 5374 11 1994 -405 -15148 1038 765 1393 -844 2396 46 -1544 778 -4018 1356 1176 -4171 4332 3134 1870 451 -178 2772 -2549 4383 -1523 -3440 -5636 1703 -163 -8 409 -484 -1937 3306 1260 1864 1263 -147 438 198 2683 -3101 3903 582 478 -5602 293 -637 -2641 2998 778 4869 2903 2870 -170 -6 688 -2170 -2088 119 -1131 -5812 -660 -1100 -1436 3460 1609 -3743 9145 -2937 -1462 2092 -4421 -579 -1039 543 1229 7254 -109 1447 -2943 -8631 -2141 1847 -1663 -1156 1527 1249 -235 2651 2386 -4440 -796 -1649 -356 757 -941 -2278 467 -885 3498 1877 890 2150 -3357 694 328 1336 -3221 2182 -625 1271 542 -115 -1269 2460 2103 2974 -3621 1781 -3971 -1110 SS 20230102T173651.6Z 8402.733931 257 1 28.00 2 66.02 184.45 100.04 50.96 0.00 1 0.00 1 0 17 1.291e-01 2.294e-02 9.169e-02 1.530e-02 3.087073e-01 7.456824e-03 3.785147e-03 -6.000000e+00 7.085841e-02 222.99 -2.00 3.55 -2.00 318.22 0.00e+00 9.652172e-04 1.349690e-03 2.846374e-04 -6.000000e+00 3.070263e-03 273.23 -2.00 20.00 -2.00 317.66 0.00e+00 2.443 0.000 302.00 328.00 3 7.3190e+00 1.9870e-02 2.8490e-02 -6.0000e+00 1.7479e-01 1.7215e-01 2.2625e-02 1.5840e-02 -6.0000e+00 1.9115e-01 9.1762e-03 1.5144e-02 7.9829e-03 -6.0000e+00 1.1364e-01 -1.7215e-02 7.9669e-03 2.4252e-03 -6.0000e+00 4.8343e-02 2.0643e-05 -5.4745e-04 4.2603e-04 2.4766e-05 -6.0000e+00 3.2902e-03 -2.2709e-03 4.2576e-05 12 8 8 10 0 0 58.94 17.77 2.69 -0.00227 -0.00638 7 7 2 8 0 4000.000 15.00 17.77 16.01 21.27 21.17 14.4 995.95 43505 33937 -22162 10935 -8912 24036 -25575 27286 -28297 42537 11299 77730 -23989 20389 550 14046 38587 9638 18927 -5201 13275 4034 20534 -9954 14716 -4320 3963 2027 15897 -12723 41048 -5445 172 5874 -24651 13448 -8262 9913 -4271 1013 1164 -15103 1553 1159 8024 -2961 -6928 -11526 4631 -2687 -502 -2050 2691 -2067 6248 -770 4964 2222 1799 -2005 -970 6325 -1154 5142 -403 1173 -4945 1999 1210 -220 3087 1863 2837 2771 4161 465 -1994 -2127 -4472 -3111 969 1110 -2557 -1086 -703 -1613 2045 175 -78 687 -2868 -2316 -2029 -1316 -3200 710 -520 3103 -423 1288 317 1931 -3300 -1486 121 789 -1528 -1677 4144 433 1706 692 1506 -342 -1554 -268 -2842 -365 -1316 156 -381 729 31 883 549 -534 -724 1916 -60 -601 1403 -1471 103 -60 -34 -1121 327 -246 1560 562 603 -2187 426 1759 1666 -1973 653 -566 1100 -1994 1452 -2846 2306 820 3119 -2886 1835 70 1751 4068 1378 2578 -936 2019 660 2935 -2060 2493 -923 782 393 2490 -2670 5491 -1259 41 1385 -6976 2635 -2231 2593 -1507 399 498 -7908 712 537 3456 -1428 -3414 -5830 2034 -1281 -243 -1084 1434 -1225 3509 -471 2926 1331 1088 -1247 -618 4048 -842 3791 -312 815 -3546 1311 858 -176 2595 1643 2451 2285 3218 332 -1323 -1355 -3111 -2439 820 1006 -2555 -1113 -772 -1908 2440 219 -98 812 -3215 -2437 -1956 -1232 -3286 780 -624 4011 -596 1729 401 2263 -3806 -1757 149 1007 -2086 -2408 5913 688 2748 1135 2424 -521 -2190 -362 -3836 -503 -1964 243 -602 1112 47 1288 760 -713 -916 2408 -84 -901 2173 -2333 164 -99 -60 -2090 612 -474 2951 1032 1063 -3802 704 SS 20230102T183855.1Z 8402.777027 282 1 46.39 2 68.40 199.74 90.79 61.60 0.00 1 0.00 1 0 17 1.590e-02 5.114e-03 1.573e-03 3.009e-04 3.226769e-01 1.463316e-04 3.884449e-03 -6.000000e+00 8.720244e-03 222.99 -2.00 3.55 -2.00 318.24 0.00e+00 7.473137e-04 2.664710e-05 9.531437e-05 -6.000000e+00 3.779100e-04 273.23 -2.00 20.00 -2.00 317.66 0.00e+00 2.692 0.000 302.00 328.00 3 7.8118e-01 3.9063e-04 3.0802e-02 -6.0000e+00 2.1511e-02 7.1701e-03 4.4437e-04 1.6438e-02 -6.0000e+00 2.3528e-02 -6.7154e-03 2.9445e-04 8.2110e-03 -6.0000e+00 1.3988e-02 -6.0866e-04 1.5389e-04 2.4657e-03 -6.0000e+00 5.9468e-03 1.2188e-02 -7.4775e-05 8.3518e-06 2.4868e-05 -6.0000e+00 4.0524e-04 1.0533e-03 1.9433e-05 10 0 0 10 0 0 99.33 17.77 0.29 0.00105 0.00049 1549 478 2 8 0 29.540 15.00 17.77 15.59 21.38 21.17 14.3 992.03 -4954 -3627 -2469 -5573 -6168 -7467 -5138 -3555 -2230 -3103 -5004 -4333 -2762 -1348 -193 -71 -360 209 278 1019 236 228 245 -203 -473 86 -550 -983 -1618 -490 889 641 1360 -966 -2678 -2510 -2154 -1321 -310 -277 -748 -687 -479 -424 -130 -104 -391 -187 -623 136 951 766 974 1163 794 1048 897 517 519 487 1076 1256 1688 1659 337 50 -271 -443 471 493 479 259 278 430 52 -79 -551 -744 -395 -739 -981 -1083 -1973 -1454 -1078 -631 -288 -8 387 307 581 298 160 324 479 206 545 612 69 -215 -283 -633 -589 7 -780 -782 -684 -559 -233 161 324 156 131 37 -119 166 101 261 78 -3 -232 9 268 244 702 350 661 979 528 355 187 65 -258 64 -16 -148 16 126 -143 -171 -144 -362 -451 -297 -236 -164 -356 -347 -417 -303 -233 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