File name: Pandora177s1_WestportCT_20231121_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T034723.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231121_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20231121 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20231121T132512.7Z 8725.559175 96 1 48.89 2 75.81 133.43 143.52 38.01 0.00 1 0.00 1 0 25 1.595e-01 1.087e-02 1.133e-01 4.074e-03 4.795511e-01 2.166927e-03 6.170581e-03 -6.000000e+00 9.353679e-02 223.11 -2.00 3.51 -2.00 320.51 0.00e+00 4.737640e-03 8.286911e-04 3.773256e-03 -6.000000e+00 4.132038e-03 279.70 -2.00 20.00 -2.00 319.95 0.00e+00 3.990 0.001 302.00 328.00 3 3.0551e+00 6.5982e-03 4.8762e-02 -6.0000e+00 2.3011e-01 -1.3754e-03 8.3023e-03 3.0727e-02 -6.0000e+00 2.4965e-01 -1.3158e-02 7.7268e-03 1.8479e-02 -6.0000e+00 1.4896e-01 -3.0780e-03 3.8977e-03 6.9435e-03 -6.0000e+00 6.4223e-02 2.7629e-04 1.9520e-04 1.2805e-04 1.1200e-04 -6.0000e+00 4.6855e-03 -2.5169e-03 0.0000e+00 12 8 8 10 0 0 91.96 23.11 0.41 -0.00252 -0.00105 50 12 1 5 0 977.700 26.51 19.98 23.11 3.91 21.5 877.72 -85350 -64985 -3964 -25400 -88781 -60653 -54649 -23142 -18665 994 -28520 -52037 -17185 -23840 -10104 -21750 -1570 6577 -5639 -10229 -10852 1208 -8291 10003 -306 -9319 -11966 4374 -6211 -12235 14681 -4982 -3782 -6077 -7782 -6405 -10823 868 -3028 -3659 -1646 -399 -2600 2824 -1421 -1243 -334 4058 3779 -281 6574 222 2263 2068 502 2455 -1575 -1820 -848 1572 2450 5453 4154 4289 1249 644 1196 -1737 4541 1687 1175 88 675 -670 -945 -1802 -2922 -3208 -3396 -1743 -2664 -1742 -3516 -933 434 98 2162 1963 1825 167 1352 -1517 -1199 -1340 -858 531 513 1836 232 -474 -1959 -1503 -815 -1380 -1462 -1247 -1109 -1213 1503 1249 1524 -360 -18 -639 -530 -427 493 646 399 544 861 979 1312 580 780 -898 -787 166 -638 -906 -1384 -1128 -349 -26 105 306 561 1134 494 161 -452 -1224 -1314 -920 -31 -240 -1477 -753 -692 -241 -204 9 -382 -1008 -290 -539 -241 -670 -44 195 -189 -401 -437 44 -340 366 -13 -454 -596 182 -290 -651 688 -330 -273 -460 -585 -483 -957 82 -357 -499 -242 -62 -429 453 -242 -216 -58 691 667 -55 1308 52 558 542 139 689 -466 -536 -244 445 729 1742 1495 1660 504 252 452 -702 1921 825 621 48 361 -342 -444 -775 -1203 -1360 -1614 -945 -1664 -1196 -2644 -726 355 86 1945 1799 1651 147 1095 -1175 -892 -1040 -737 512 560 2187 294 -593 -2294 -1603 -835 -1478 -1674 -1509 -1413 -1650 2168 1973 2397 -588 -29 -1027 -801 -626 729 1005 659 926 1455 1605 2070 891 1147 -1287 -1112 245 -1051 -1642 -2513 -2128 -683 -53 229 695 1304 2642 1149 364 -972 -2544 SS 20231121T134820.5Z 8725.575238 109 1 48.26 2 72.77 138.12 140.66 45.56 0.00 1 0.00 1 0 25 2.908e-01 1.329e-02 2.051e-01 8.174e-03 4.108079e-01 4.307435e-03 5.087105e-03 -6.000000e+00 1.705276e-01 223.11 -2.00 3.51 -2.00 319.97 0.00e+00 2.257586e-03 1.364408e-03 2.186506e-03 -6.000000e+00 7.533898e-03 279.70 -2.00 20.00 -2.00 319.37 0.00e+00 3.327 0.001 302.00 328.00 3 4.5742e+00 1.2460e-02 3.9972e-02 -6.0000e+00 4.1952e-01 1.6024e-02 1.4961e-02 2.3514e-02 -6.0000e+00 4.5515e-01 2.1901e-02 1.2563e-02 1.2722e-02 -6.0000e+00 2.7158e-01 -2.3919e-02 6.5074e-03 4.1590e-03 -6.0000e+00 1.1708e-01 1.2135e-04 5.3470e-04 2.6258e-04 5.9172e-05 -6.0000e+00 8.5431e-03 -1.9366e-03 0.0000e+00 12 8 8 10 0 0 99.91 23.10 0.70 -0.00194 0.00208 29 7 1 5 0 1663.750 26.51 20.02 23.10 5.06 21.5 885.46 -43671 -60410 33232 66444 90528 260266 108193 -17529 -51818 -27518 -76517 -26821 -52120 -453 11700 -8447 -12083 12093 -4098 1064 -20866 7817 226 8137 2136 -8066 14004 -9050 -1845 -11972 10281 -450 7065 -3771 3586 -7679 -10068 -669 4374 -1301 2326 7956 3860 -865 3030 -3380 1029 -806 -3936 -2325 791 2619 1107 3890 2428 1572 -3211 1036 416 4810 -4774 6832 4250 3328 3878 -2082 -2071 -4837 4658 1141 854 1747 2012 3 -2358 754 -4689 -141 -2319 -169 -2352 -1368 -1716 -3933 -36 -521 1193 1055 995 847 -584 253 -947 516 -1561 -990 -189 2294 1181 -341 -2047 -1491 -435 -839 -941 -1492 -1441 -1211 1594 1148 1646 565 405 74 -1999 -478 -537 715 660 528 1172 950 1714 -615 177 -1352 -623 530 -262 -542 -45 -970 -913 368 -401 -292 271 933 981 417 -142 -1590 -914 -1655 364 530 722 2074 862 -349 -1600 -699 -3316 -788 -2363 -15 402 -400 -644 542 -229 59 -1466 417 14 482 144 -619 851 -672 -134 -948 781 -43 687 -415 356 -869 -1311 -95 709 -256 483 1653 863 -206 704 -844 247 -198 -1016 -620 221 785 362 1304 859 578 -1254 384 153 1705 -1963 2744 1926 1618 1873 -1014 -971 -2403 2334 663 535 1111 1252 2 -1329 373 -2300 -67 -1243 -102 -1639 -1040 -1402 -3486 -33 -507 1196 1075 999 812 -528 209 -757 419 -1422 -1011 -215 2791 1516 -433 -2438 -1623 -457 -922 -1106 -1865 -1891 -1680 2321 1816 2734 958 665 114 -2952 -673 -769 1065 1045 866 1910 1510 2612 -924 252 -1873 -841 742 -404 -911 -79 -1789 -1754 737 -856 -648 612 2114 2204 913 -297 -3256 SS 20231121T135333.3Z 8725.578858 112 1 48.46 2 72.12 139.21 139.96 47.14 0.00 1 0.00 1 0 25 6.210e-02 1.038e-02 3.609e-02 2.687e-03 3.908328e-01 1.408750e-03 4.858097e-03 -6.000000e+00 3.641722e-02 223.11 -2.00 3.51 -2.00 319.63 0.00e+00 2.933146e-03 4.043082e-04 1.878015e-03 -6.000000e+00 1.608707e-03 279.70 -2.00 20.00 -2.00 319.01 0.00e+00 3.214 0.001 302.00 328.00 3 3.3557e+00 3.9775e-03 3.8131e-02 -6.0000e+00 8.9590e-02 -6.6156e-04 4.6896e-03 2.1436e-02 -6.0000e+00 9.7197e-02 1.0283e-02 3.7609e-03 1.1867e-02 -6.0000e+00 5.7996e-02 -1.4198e-02 1.9714e-03 4.1983e-03 -6.0000e+00 2.5005e-02 4.7450e-04 3.5965e-05 8.5108e-05 5.3375e-05 -6.0000e+00 1.8242e-03 -2.6304e-03 0.0000e+00 12 8 8 10 0 0 99.77 23.10 0.51 -0.00263 -0.00236 50 12 1 5 0 969.140 26.51 20.01 23.10 5.34 21.6 887.51 -25825 -14611 -16908 -11130 -3501 -24663 -8656 7304 -13587 -20665 -25633 -32217 -10094 -14074 2312 1905 5274 3634 2304 -1736 2664 -6374 -3806 2920 5528 -1405 -1786 1115 -5438 -4130 -6190 -12 986 -4536 -4624 -6222 -2818 -4205 -2136 -1499 -2580 -413 704 313 1940 2599 1372 -1011 -1425 602 916 1181 2084 1876 2082 915 94 -2132 -885 -181 935 2139 3043 3359 725 -414 -959 -1024 2735 1593 1340 1755 605 1007 -127 -2060 -3093 -4109 -2360 -2289 -1968 -2327 -2442 -552 94 545 1807 1534 1296 1207 529 -758 -1515 -512 -682 -306 986 873 -46 -667 -1308 -1980 -719 -17 -1860 -1950 -1081 -915 945 1313 1502 956 275 -629 -715 -646 125 396 816 425 767 687 1382 641 678 -932 -1015 494 -367 -264 -762 -1133 -299 140 -9 -188 375 785 751 -28 -133 -1260 -572 -320 -387 -251 -68 -581 -188 153 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