File name: Pandora206s1_BuffaloNY_20230211_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T051910.1Z 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_20230211_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: 20230211 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 20230211T160211.3Z 8442.668186 323 1 28.01 2 60.36 155.51 102.54 266.70 0.00 1 0.00 1 0 17 2.053e-01 2.630e-02 1.547e-01 1.860e-02 3.212409e-01 9.138568e-03 3.839594e-03 -6.000000e+00 1.131699e-01 224.53 -2.00 3.55 -2.00 318.36 0.00e+00 1.437984e-03 1.733284e-03 1.635129e-04 -6.000000e+00 4.937107e-03 272.39 -2.00 20.00 -2.00 317.82 0.00e+00 2.014 0.000 302.00 328.00 3 7.9091e+00 2.4447e-02 2.5646e-02 -6.0000e+00 2.8017e-01 1.5530e-01 2.7906e-02 1.6525e-02 -6.0000e+00 3.0627e-01 5.3416e-02 1.9348e-02 8.2372e-03 -6.0000e+00 1.8191e-01 -5.1939e-02 1.0228e-02 2.6329e-03 -6.0000e+00 7.7177e-02 1.6512e-05 -1.5698e-03 5.1958e-04 2.5601e-05 -6.0000e+00 5.3491e-03 7.2442e-03 -2.9190e-05 12 8 8 10 0 0 33.95 17.54 2.77 0.00724 -0.00455 7 7 2 8 0 4000.000 15.02 17.54 6.93 21.17 20.96 14.1 957.45 -31253 190637 39563 900000 11323 53899 -7932 60847 1216 -1103 16434 62523 -38581 9937 3875 11788 14282 7631 21576 -9529 43120 -7239 6742 1764 -7006 1805 7510 10870 1879 -12398 -4121 19316 -5424 3558 -3435 8403 -6489 15253 598 -5560 7181 -2536 3216 -3590 3951 -4506 -11897 -13670 12849 -4336 1695 -346 -4082 805 6146 -88 1656 -2384 -4949 -1377 -179 10017 -1184 4521 -262 5970 -6659 -2136 -1979 -1704 3461 2670 6782 2475 2338 -2915 679 1054 -1784 -4639 -233 -2695 -4695 170 178 1591 4120 969 -1124 5610 -2233 3638 -2429 -4978 -5467 1997 392 472 1335 1566 799 -2178 -404 -2297 -87 -1661 -1746 179 943 612 1280 299 -2101 1014 -2296 421 -4143 1392 -2363 1670 1400 2585 -32 1193 -2231 -477 -1964 396 1677 -1898 2429 188 2730 -214 1677 -1468 1269 1409 -1490 -2554 1228 -1491 605 -2121 3458 1579 900000 493 1499 -441 1913 78 -77 944 2464 -4583 855 415 1310 1630 982 2537 -1595 4484 -1186 994 292 -1328 327 1335 1748 309 -2391 -805 3258 -1257 805 -762 1636 -1632 3597 191 -2225 2752 -1116 1385 -1668 1699 -2120 -5931 -6823 5034 -2045 809 -176 -2276 454 3380 -52 987 -1462 -3029 -834 -111 6074 -851 3304 -199 4021 -4795 -1445 -1441 -1371 2874 2311 5745 2083 1809 -2113 432 643 -1199 -3671 -198 -2606 -4752 171 192 1804 4761 1186 -1401 6207 -2524 3541 -2310 -4771 -5682 2145 478 621 1828 2067 1021 -2613 -445 -2696 -109 -2203 -2343 247 1364 954 2100 499 -3438 1493 -3304 556 -5761 1917 -3625 2602 2196 3911 -48 1693 -3102 -622 -2547 513 2254 -2834 3669 299 4305 -363 2973 -2715 2326 2640 -2870 -4777 2193 -2626 1020 SS 20230211T170726.2Z 8442.713498 350 1 28.01 2 57.17 173.66 114.20 277.47 0.00 1 0.00 1 0 25 1.270e-01 2.162e-02 7.721e-02 1.460e-02 2.965244e-01 7.128095e-03 3.556360e-03 -6.000000e+00 7.005168e-02 224.53 -2.00 3.55 -2.00 317.95 0.00e+00 2.224704e-03 1.207130e-03 2.865287e-04 -6.000000e+00 3.008162e-03 272.39 -2.00 20.00 -2.00 317.40 0.00e+00 1.838 0.000 302.00 328.00 3 7.8294e+00 1.8884e-02 2.3570e-02 -6.0000e+00 1.7344e-01 1.5770e-01 2.1433e-02 1.5605e-02 -6.0000e+00 1.8951e-01 1.8303e-03 1.4033e-02 7.5877e-03 -6.0000e+00 1.1248e-01 -1.7977e-02 7.3056e-03 3.0243e-03 -6.0000e+00 4.7641e-02 2.2233e-05 9.0276e-04 4.0502e-04 2.7532e-05 -6.0000e+00 3.2370e-03 2.9764e-04 3.5111e-05 12 8 8 10 0 0 -6.24 17.53 0.94 0.00030 0.00708 7 7 2 8 0 4000.000 14.98 17.53 6.35 21.17 20.96 14.2 954.74 -10013 48345 25397 48274 55469 12814 9883 19155 -3690 -2925 33000 11992 7272 3357 6005 9184 92735 1900 11369 5206 19291 9567 3846 -4043 -17274 -2878 4127 12134 373 -6112 -1874 9062 412 -21321 1847 -5491 -84 1688 -17283 -5031 14033 -2076 3577 182 187 -4055 -4490 -11346 3554 -1904 885 1796 -5014 1625 1761 3509 5732 183 -1894 552 -655 6990 1596 -72 833 957 -1587 -3683 -899 -832 2612 480 1691 2586 739 -2701 381 -1339 -2810 -3171 215 1832 -1736 1650 1237 602 157 933 358 3132 -782 -1084 -1021 -2034 -1528 1564 856 788 1725 595 2493 -2742 -1312 -1682 -502 -1841 445 498 -1582 -539 1545 423 -2116 -132 -1667 784 -2365 549 -1921 1405 147 792 1358 -825 -86 -1976 514 552 3033 436 659 -833 832 51 -786 -2258 1277 334 1482 120 -265 -810 -129 -851 2593 1704 2452 2291 791 671 1319 -342 -281 2225 1047 752 421 853 1401 6604 340 1933 976 3173 1697 744 -894 -4523 -677 901 2350 76 -1352 -434 2039 108 -7052 455 -1447 -23 518 -7726 -2316 5751 -1037 1745 92 95 -2148 -2341 -6208 1651 -945 458 986 -3105 995 1101 2184 3544 118 -1212 343 -429 4595 1209 -59 665 695 -1112 -2589 -665 -703 2305 446 1529 2204 588 -2042 254 -876 -2009 -2597 185 1708 -1770 1694 1372 716 190 1148 455 3669 -870 -1103 -985 -1954 -1579 1686 1036 1062 2402 805 3079 -3255 -1494 -1964 -631 -2440 603 708 -2340 -846 2502 693 -3391 -198 -2321 1008 -3168 750 -2890 2161 230 1202 1992 -1173 -119 -2649 637 704 4087 643 988 -1298 1297 83 -1384 -4074 2337 613 2759 218 -463 -1368 -213 SS 20230211T182543.4Z 8442.767863 383 1 5.31 2 58.38 196.11 127.69 292.31 0.00 1 0.00 1 0 17 1.771e-02 8.735e-03 2.905e-02 9.049e-03 2.766391e-01 4.417959e-03 3.360784e-03 -6.000000e+00 9.760919e-03 224.54 -2.00 3.55 -2.00 317.26 0.00e+00 4.404276e-04 6.179682e-04 6.634245e-05 -6.000000e+00 4.193842e-04 272.39 -2.00 20.00 -2.00 316.71 0.00e+00 1.900 0.000 302.00 328.00 3 5.5507e+00 1.1583e-02 2.3280e-02 -6.0000e+00 2.4165e-02 3.6633e-02 1.3064e-02 1.4105e-02 -6.0000e+00 2.6418e-02 5.0173e-03 7.9746e-03 7.0238e-03 -6.0000e+00 1.5681e-02 -5.2961e-03 3.9826e-03 2.0306e-03 -6.0000e+00 6.6314e-03 2.2663e-04 -2.9837e-04 2.4747e-04 2.1180e-05 -6.0000e+00 4.5182e-04 7.3060e-03 -7.5087e-05 12 9 1 12 1 1 999.00 17.53 0.28 0.00731 0.00506 1 12 2 8 0 2572.330 15.00 17.53 6.80 21.17 20.96 14.2 957.70 1634 4601 2547 -5206 732 2511 -3472 -711 -4043 -4378 -1079 4250 -6632 1647 3262 262 -646 817 313 3961 -1254 -1023 -4744 2157 -1729 358 1001 -1076 1934 -2230 2685 311 5083 -4337 -2806 -3730 -1028 -1572 -1378 -598 921 -574 -2739 -558 227 945 -1478 -630 2091 1639 -878 1439 120 2429 470 1727 1275 -641 1791 320 766 1409 1986 890 -1213 -275 -746 -687 155 -483 348 439 534 1479 -628 -346 -1574 1059 -1485 680 -1664 -811 -3966 -1410 -461 260 -422 244 901 240 687 886 194 -3 821 394 1197 1007 41 -339 -494 -528 -748 -507 -972 -1134 -1208 -272 -516 429 1011 150 -42 412 -450 -337 177 294 49 -37 -200 462 224 -190 1240 225 1060 1020 -335 -612 151 -24 517 163 141 -203 -275 485 -175 -76 212 -1073 -274 169 502 289 -586 70 232 -368 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