File name: Pandora177s1_WestportCT_20230503_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022641.4Z 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_20230503_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: 20230503 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 20230503T114228.1Z 8523.487825 237 1 48.52 2 70.04 86.30 122.08 294.02 0.00 1 0.00 1 0 17 7.531e-02 9.183e-03 3.528e-02 2.077e-03 4.443007e-01 1.134395e-03 5.314098e-03 -6.000000e+00 4.562341e-02 230.08 -2.00 3.51 -2.00 319.75 0.00e+00 2.313925e-03 3.353386e-04 1.420529e-03 -6.000000e+00 1.973487e-03 282.19 -2.00 20.00 -2.00 319.12 0.00e+00 2.897 0.000 302.00 328.00 3 3.0097e+00 3.2500e-03 3.7798e-02 -6.0000e+00 1.1400e-01 3.6504e-02 3.8542e-03 2.4311e-02 -6.0000e+00 1.2273e-01 -4.3300e-04 3.1523e-03 1.2642e-02 -6.0000e+00 7.2939e-02 -8.1770e-03 1.6390e-03 3.9747e-03 -6.0000e+00 3.1319e-02 7.9320e-04 -8.7298e-04 6.4658e-05 5.0299e-05 -6.0000e+00 2.2110e-03 -5.2578e-02 0.0000e+00 11 9 0 11 8 0 99.95 23.51 0.34 -0.05258 -0.05914 99 23 1 5 0 490.020 26.83 19.98 23.51 12.50 19.9 940.43 -14636 -16803 -2537 -11979 -31152 -36302 -19341 -44439 4560 -29337 -13040 -16729 -9753 -13100 -10096 -932 -10953 -2585 -10520 310 2078 -564 545 -3004 -1944 -3333 11 -9121 -1283 -3498 5119 -1186 1460 -1665 -5940 -5188 -8102 -488 -1892 964 -1231 -752 18 -1395 -482 140 1892 -1901 861 -827 2770 1940 570 1958 523 1638 -184 212 -1370 590 712 2328 2946 2325 2176 -1414 162 -1312 1946 1681 1413 1575 537 1130 -186 -448 -2168 -1428 -1355 -942 -1387 -1613 -2335 -2468 -630 -831 909 1070 1565 1515 862 428 -1611 -441 -452 -372 -22 1083 831 117 -885 -2040 -589 -125 -726 -2279 -1280 -1489 21 1009 980 603 29 -134 -616 -221 404 671 806 205 275 370 1207 575 989 26 -725 376 594 -339 -729 -1070 -761 -148 138 130 -18 914 496 92 73 -1400 -216 -293 -41 -206 -606 -713 -337 -1125 79 -767 -301 -434 -277 -470 -423 -41 -590 -138 -650 18 123 -35 34 -206 -142 -259 1 -733 -93 -266 393 -111 149 -184 -675 -578 -999 -66 -313 181 -265 -173 4 -344 -119 35 465 -488 218 -222 768 593 192 691 196 629 -73 84 -545 229 284 988 1374 1184 1144 -746 80 -657 1021 996 921 1072 368 739 -114 -250 -1131 -723 -734 -579 -981 -1279 -2022 -2274 -606 -854 971 1067 1703 1593 857 394 -1417 -382 -422 -389 -26 1276 1052 149 -1076 -2516 -675 -144 -896 -2761 -1614 -1982 30 1526 1589 1013 48 -212 -915 -311 563 970 1233 331 448 591 1845 852 1401 39 -1057 552 855 -541 -1250 -1919 -1411 -286 282 278 -39 2031 1107 202 152 -2820 SS 20230503T115133.5Z 8523.494137 244 1 10.32 2 68.33 87.76 123.60 295.88 0.00 1 0.00 1 0 17 1.952e-01 1.182e-02 1.372e-01 8.409e-03 4.110399e-01 4.512527e-03 4.940332e-03 -6.000000e+00 1.182715e-01 230.08 -2.00 3.51 -2.00 319.20 0.00e+00 1.230533e-04 1.131729e-03 1.262095e-03 -6.000000e+00 5.115230e-03 282.19 -2.00 20.00 -2.00 318.55 0.00e+00 2.683 0.000 302.00 328.00 3 4.5815e+00 1.2499e-02 3.4959e-02 -6.0000e+00 2.9552e-01 3.4782e-02 1.4515e-02 2.2671e-02 -6.0000e+00 3.1814e-01 1.9986e-02 1.1074e-02 1.0954e-02 -6.0000e+00 1.8908e-01 -1.7579e-02 5.8288e-03 3.0602e-03 -6.0000e+00 8.1201e-02 2.1182e-04 -3.3172e-04 2.5866e-04 3.5028e-05 -6.0000e+00 5.7307e-03 -5.3612e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.51 0.37 -0.05361 -0.05610 2 3 1 5 0 3384.600 26.83 19.99 23.51 13.00 20.0 944.51 -34512 -26794 -16729 65247 -277 5787 198870 -16384 -5736 -38158 -35508 -9024 -8646 -5691 -8741 25320 -5768 2404 -7050 -406 3931 -177 -18191 13036 4412 -693 1842 -7486 3461 -10079 11431 5808 6946 4872 -2443 -1130 -9737 5499 -6013 -1617 -2320 1689 -4579 -857 2431 7002 698 -1136 -293 -3391 2611 -1026 -1165 275 1427 1651 1303 976 -906 -1580 -2033 3608 1592 3732 2640 -896 -299 -2118 401 1330 975 933 2316 4148 -1669 473 -1640 -49 -3408 -1326 -1311 -1477 -2184 -1686 546 -489 1710 298 565 1629 276 -929 -1827 -1473 -266 -332 79 1658 149 242 -1606 -1980 -1245 1361 -79 -2481 -455 -1760 35 416 1680 -41 -217 1009 -479 -737 -230 409 -39 1343 -138 665 1294 1226 1086 720 -1411 -196 325 -762 -410 -653 -590 474 125 -34 159 1051 309 -352 -272 -1219 -932 -762 -452 802 -6 116 1631 -495 -176 -1638 -1638 -342 -377 -289 -542 1272 -432 177 -607 -34 328 -16 -1976 1109 443 -77 200 -863 346 -1162 1154 702 922 689 -364 -164 -1667 955 -1421 -403 -650 486 -1458 -267 740 2047 217 -359 -93 -1143 887 -394 -485 120 643 769 623 468 -436 -758 -1008 1822 902 2230 1633 -552 -173 -1246 248 919 700 700 1712 3059 -1211 304 -987 -28 -2162 -935 -994 -1250 -2012 -1642 553 -505 1827 333 625 1723 292 -918 -1700 -1357 -259 -362 91 2089 204 331 -2099 -2371 -1478 1601 -95 -3248 -612 -2524 50 641 2725 -70 -361 1571 -706 -1089 -337 618 -60 2124 -226 1053 1968 1891 1609 1020 -1965 -274 487 -1196 -685 -1135 -1061 842 236 -67 323 2151 636 -714 -526 -2271 SS 20230503T115703.8Z 8523.497960 247 1 49.72 2 67.29 88.65 124.51 297.04 0.00 1 0.00 1 0 17 1.339e-01 9.579e-03 1.070e-01 5.627e-03 3.954806e-01 3.034167e-03 4.797114e-03 -6.000000e+00 8.109908e-02 230.09 -2.00 3.51 -2.00 319.51 0.00e+00 1.854603e-03 8.105171e-04 1.342633e-03 -6.000000e+00 3.507991e-03 282.19 -2.00 20.00 -2.00 318.86 0.00e+00 2.569 0.000 302.00 328.00 3 4.8441e+00 8.5341e-03 3.3584e-02 -6.0000e+00 2.0264e-01 5.5043e-02 9.9536e-03 2.1672e-02 -6.0000e+00 2.1816e-01 -4.9920e-03 7.6449e-03 1.1055e-02 -6.0000e+00 1.2965e-01 -6.6255e-03 4.0037e-03 3.3286e-03 -6.0000e+00 5.5673e-02 1.8423e-04 -5.2487e-04 1.7773e-04 4.2305e-05 -6.0000e+00 3.9301e-03 -5.2652e-02 0.0000e+00 12 8 8 10 0 0 97.64 23.51 0.01 -0.05265 -0.05660 22 5 1 5 0 2259.640 26.83 20.01 23.51 13.31 20.0 946.40 129020 -38297 -12045 -3592 -22752 -14483 40763 25129 7966 -10141 -36183 -14878 -8250 -15075 11351 -5742 -6064 1445 -3716 -4163 5379 3968 -2586 1868 4603 -1610 3467 892 -11056 -6848 -8266 -5591 -4396 -2635 -7640 -2140 -3176 3464 3043 -3571 307 -2777 1851 -145 2844 286 4057 1739 -1544 97 725 634 2321 3526 -27 1434 297 -218 -2487 -1447 -14 2148 4340 1641 1049 111 -1780 -1330 2046 844 394 2559 1585 584 522 -814 -738 -2239 -1743 -397 -2253 -1174 -2576 -1972 -524 167 449 1827 -544 1895 -185 -412 -1471 -374 -258 -72 -239 440 722 133 -1365 -1591 -767 -37 -367 -1882 -1037 -1334 -61 547 1420 1041 490 278 191 -936 -705 393 69 1141 491 286 710 444 647 532 -1490 340 53 179 -37 -1098 -929 -12 396 -208 -396 783 658 19 -209 -793 752 -1273 -323 -86 -609 -341 615 500 210 -341 -1530 -577 -345 -812 557 -380 -439 104 -297 -350 422 318 -226 165 425 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