File name: Pandora177s1_WestportCT_20231109_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T152001.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231109_L1_smca1c5d20230401p1-8.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: 20231109 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20231109T184709.5Z 8713.782748 405 1 2.33 2 65.41 214.41 77.39 257.18 0.00 1 0.00 1 0 25 2.132e-02 1.187e-02 1.156e-02 3.630e-03 2.785913e-01 1.872083e-03 3.386325e-03 -6.000000e+00 1.252836e-02 223.70 -2.00 3.51 -2.00 317.32 0.00e+00 1.787186e-03 2.744544e-04 4.027640e-04 -6.000000e+00 5.554535e-04 281.07 -2.00 20.00 -2.00 316.64 0.00e+00 2.386 0.000 302.00 328.00 3 2.7876e+00 4.9012e-03 2.7573e-02 -6.0000e+00 3.0847e-02 9.9827e-03 5.5062e-03 1.4080e-02 -6.0000e+00 3.3446e-02 -3.5680e-03 3.3454e-03 7.0652e-03 -6.0000e+00 1.9964e-02 -6.2032e-03 1.6707e-03 2.2955e-03 -6.0000e+00 8.6068e-03 2.1831e-03 4.0602e-05 1.1128e-04 2.4750e-05 -6.0000e+00 6.2641e-04 2.6296e-03 0.0000e+00 12 9 9 12 1 1 93.68 23.07 0.41 0.00263 0.00293 5 29 1 5 0 386.850 26.41 20.00 23.07 17.13 22.4 966.06 1365 642 -806 -9277 -6097 -4913 -263 -1370 -8992 -2571 -6481 -2598 -4364 -980 -4296 -2595 1272 1694 4691 2392 858 113 2630 663 1192 468 -676 -1143 -1737 753 -137 358 -190 -2196 -6432 -4839 -2149 -733 976 -349 -21 258 444 -402 1271 710 642 -89 -223 362 1692 1210 1516 645 110 1222 330 13 -424 -470 1085 1473 2877 1972 124 -653 -1008 -249 2598 1958 1286 1662 1107 701 -561 -1479 -2211 -3215 -2071 -2626 -2272 -2924 -2446 -1597 -537 500 1360 1689 1871 1257 598 -1590 -2838 -829 -719 -383 228 982 398 -274 -1393 -1787 -776 -587 -1982 -1478 -1039 -521 978 1394 1793 885 540 60 -151 -830 -152 275 692 99 806 736 1242 1072 1026 -541 -647 1153 117 -117 -683 -1556 -10 -47 747 206 418 505 326 -273 -886 -1315 143 73 -92 -1080 -630 -489 -27 -159 -1219 -336 -890 -366 -715 -181 -849 -549 273 378 1057 569 210 28 647 176 331 133 -190 -308 -453 193 -38 109 -62 -731 -2148 -1602 -770 -307 437 -179 -11 149 242 -224 698 423 377 -52 -129 213 965 744 985 441 78 873 240 9 -304 -339 809 1101 2292 1655 104 -514 -749 -185 2059 1740 1152 1524 1007 653 -489 -1173 -1755 -2548 -1624 -2337 -2104 -2973 -2633 -1691 -600 591 1674 1984 2299 1484 658 -1739 -2944 -850 -793 -438 288 1259 532 -360 -1710 -2171 -917 -726 -2505 -1966 -1440 -712 1399 2114 2668 1325 818 85 -210 -1120 -207 392 993 149 1223 1096 1779 1565 1430 -728 -848 1528 169 -170 -1045 -2457 -16 -76 1250 344 714 873 562 -462 -1527 -2200 SS 20231109T185152.1Z 8713.786020 408 1 12.38 2 65.92 215.51 78.25 257.97 0.00 1 0.00 1 0 17 3.626e-02 1.242e-02 2.518e-02 5.532e-03 2.821755e-01 2.857007e-03 3.442010e-03 -6.000000e+00 2.130720e-02 223.70 -2.00 3.51 -2.00 318.13 0.00e+00 2.142798e-03 5.163391e-04 6.632573e-04 -6.000000e+00 9.446094e-04 281.07 -2.00 20.00 -2.00 317.44 0.00e+00 2.433 0.000 302.00 328.00 3 4.6914e+00 7.5780e-03 2.8082e-02 -6.0000e+00 5.2461e-02 3.5525e-02 8.5778e-03 1.4299e-02 -6.0000e+00 5.6881e-02 3.0257e-03 5.5305e-03 7.3477e-03 -6.0000e+00 3.3953e-02 -1.1662e-02 2.8518e-03 2.5346e-03 -6.0000e+00 1.4638e-02 3.0443e-04 -1.5522e-05 1.7283e-04 2.6779e-05 -6.0000e+00 1.0653e-03 2.2757e-03 0.0000e+00 12 9 9 12 1 1 99.67 23.07 0.27 0.00228 0.00216 5 6 1 5 0 2061.560 26.41 19.99 23.07 17.44 22.5 968.67 11264 -2163 -5619 -7980 -11513 -9348 1017 1557 -3401 -12274 -15439 -14837 -9586 -5619 911 2582 -6091 5210 2279 7633 2011 1583 578 152 3 433 2423 -4676 2049 1667 1398 5827 -1338 -3183 -8040 -1907 -8291 -2034 -976 623 -1182 244 523 933 994 359 1323 707 -1145 -761 1178 3008 343 2146 3179 741 129 -1001 -2167 2 2586 2646 4514 1823 -648 -2490 -635 -1208 3206 274 1978 1540 -463 1068 141 -705 -2869 -3666 -2792 -2499 -2603 -2487 -2501 -846 36 171 1098 1252 1843 1938 395 -331 -1913 -361 -990 267 346 1321 261 -985 -1270 -2895 -710 -615 -1110 -1725 -1003 -616 472 1293 1360 946 282 331 -147 -280 -142 376 713 446 656 467 1674 659 557 -861 -393 831 -675 -409 -744 -1156 -345 286 -196 492 867 1176 24 -578 -345 -1371 703 -167 -448 -609 -834 -645 68 116 -288 -1168 -1535 -1566 -1101 -725 126 382 -1037 829 389 1276 360 285 107 30 1 91 488 -966 381 315 286 1253 -329 -798 -2035 -457 -2351 -644 -362 257 -538 115 251 451 482 175 629 332 -546 -370 597 1605 199 1275 1795 438 77 -602 -1301 2 1676 1732 3138 1359 -486 -1774 -417 -806 2241 220 1673 1343 -406 879 108 -526 -2018 -2569 -2093 -1967 -2294 -2387 -2555 -898 38 192 1282 1485 2142 2149 439 -338 -1859 -348 -1034 306 411 1693 351 -1305 -1563 -3578 -843 -764 -1391 -2298 -1388 -890 718 1954 2136 1489 426 494 -204 -375 -192 534 1079 708 1051 735 2515 960 775 -1156 -545 1098 -972 -631 -1198 -1914 -584 476 -346 899 1620 2219 45 -1079 -616 -2393 SS 20231109T185535.1Z 8713.788601 411 1 3.24 2 66.33 216.38 78.92 258.58 0.00 1 0.00 1 0 25 3.016e-02 1.251e-02 2.251e-02 5.924e-03 2.835309e-01 3.054169e-03 3.420320e-03 -6.000000e+00 1.772156e-02 223.70 -2.00 3.51 -2.00 317.62 0.00e+00 2.017576e-03 4.875028e-04 5.495149e-04 -6.000000e+00 7.856648e-04 281.07 -2.00 20.00 -2.00 316.94 0.00e+00 2.472 0.000 302.00 328.00 3 3.6860e+00 8.0296e-03 2.8394e-02 -6.0000e+00 4.3633e-02 5.2261e-03 9.0441e-03 1.4246e-02 -6.0000e+00 4.7309e-02 7.5029e-03 5.6257e-03 7.2202e-03 -6.0000e+00 2.8239e-02 -8.3695e-03 2.8602e-03 2.4351e-03 -6.0000e+00 1.2175e-02 8.0990e-04 3.2400e-04 1.8239e-04 2.5263e-05 -6.0000e+00 8.8603e-04 2.4042e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.07 0.53 0.00240 0.00484 2 10 1 5 0 1077.180 26.41 20.00 23.07 17.72 22.5 970.06 5013 -4950 453 -2152 938 -10808 -4746 2958 -7699 -6225 -7678 11119 -15074 -3665 -591 387 7111 4649 4684 -1852 -693 -2536 5464 2854 2355 4820 -4929 1250 -8570 -1826 -517 3445 -1769 -3562 -4307 -883 -2784 -1291 1719 -842 1729 -2432 115 67 1184 863 1069 -1321 -1177 1567 -33 543 255 1239 -405 -301 1048 -1129 76 -449 1832 1490 2250 3236 250 -342 -1160 -370 1280 1223 1469 2416 344 1554 696 -2000 -2338 -2463 -2570 -1875 -1589 -3243 -1858 -1362 -248 783 954 2138 1127 2015 548 -1222 -2036 -860 -782 -581 1203 1013 913 -1185 -1859 -2333 -949 -157 -1823 -1814 -926 -953 743 1303 865 914 800 -827 399 -652 79 474 1508 10 984 1119 1189 580 595 -118 -1277 856 -490 -17 -1007 -1342 -105 313 164 -272 734 1131 422 -25 -1048 -1171 400 -471 41 -186 77 -911 -430 279 -824 -675 -856 1168 -2223 -564 -101 71 1290 905 950 -415 -156 -580 1181 668 584 1189 -1310 298 -2175 -439 -132 934 -539 -1104 -1294 -259 -874 -475 726 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