File name: Pandora64s1_NewHavenCT_20240621_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240622T050247.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240621_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240621 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240621T101552.7Z 8938.427693 188 1 48.15 2 81.39 66.27 108.49 247.89 0.00 1 0.00 1 0 25 3.577e-01 3.301e-02 1.857e-01 1.053e-02 7.659562e-01 6.145992e-03 9.936139e-03 -6.000000e+00 2.203155e-01 232.94 -2.00 3.52 -2.00 321.48 0.00e+00 8.425607e-03 2.818481e-03 8.350709e-03 -6.000000e+00 9.713090e-03 287.13 -2.00 20.00 -2.00 320.89 0.00e+00 6.295 0.005 302.00 328.00 3 2.7100e+00 2.1140e-02 8.4767e-02 -6.0000e+00 5.5332e-01 9.0645e-01 2.6190e-02 6.3727e-02 -6.0000e+00 5.9557e-01 -1.1327e+00 1.8874e-02 2.8965e-02 -6.0000e+00 3.5417e-01 4.4418e-01 9.1338e-03 6.7808e-03 -6.0000e+00 1.4954e-01 2.6328e-05 -2.5286e-03 3.0672e-04 2.0608e-04 -6.0000e+00 1.0653e-02 -3.3821e-03 -1.1970e-04 12 9 8 11 8 0 -6.58 21.52 0.25 -0.00338 -0.02238 20 5 1 5 0 2406.900 26.00 20.01 21.52 29.58 39.7 1055.15 -68766 -52097 -20770 -28130 69624 848 -98028 -85327 -22081 -42643 -137938 -30436 -49828 -45734 1840 -20709 -20396 29586 -12491 60414 20962 166563 61585 67242 -1642 17783 -46485 16949 -36269 -80870 -43313 -2832 18985 26755 3019 38548 -1533 15218 23954 34843 47286 61857 43370 -1659 10382 37821 31871 17516 32970 -23561 31591 166464 71080 32496 44758 11337 23738 6772 31768 5371 22206 13847 19707 20543 32965 3288 10361 15035 15931 10365 20842 8598 7361 -21 1294 -6382 22777 -8312 -4753 -1624 -719 -17567 1421 -1961 846 -3170 2492 -1905 5537 -702 -2769 42 -9439 -6546 -190 -915 -2158 -1255 -1287 -3318 -2012 -2494 -7606 -4289 -3859 -3664 -3892 4598 -3123 780 912 394 -791 1121 -469 -1303 1739 800 -801 2838 1116 2992 1888 3145 4284 1733 -2393 3008 1612 538 -576 -1612 -624 973 598 668 238 46 533 -1203 -1628 -1722 -3364 -2266 -652 -833 715 16 -4737 -3711 -553 -1236 -9915 -919 -2287 -2486 74 -1188 -1244 1162 -754 1861 861 1710 1700 1769 -80 753 -3397 664 -2300 -8988 -3951 -195 1170 1519 201 1930 -118 1131 1895 2778 3542 4147 3589 -214 1192 3335 3022 1989 3346 -4261 3854 6090 6784 4848 6029 2044 3986 1228 4567 999 3662 2752 3912 4465 6830 846 2542 3680 4326 3335 6373 3002 2482 -7 385 -1864 5159 -2575 -1654 -648 -328 -10168 732 -1104 495 -2027 1562 -1260 3352 -430 -1619 23 -5657 -4136 -130 -735 -2021 -1256 -1360 -3492 -2051 -2305 -6959 -3941 -3775 -3740 -4291 5062 -3949 1069 1375 623 -1266 1711 -700 -1930 2580 1253 -1345 4654 1811 4568 2833 4484 5868 2377 -3403 4452 2765 995 -1181 -3564 -1387 2273 1498 1730 626 123 1386 -3004 -3848 -4036 SS 20240621T103829.4Z 8938.443396 199 1 48.43 2 77.46 69.71 112.30 250.95 0.00 1 0.00 1 0 25 3.175e-01 1.158e-02 4.985e-02 1.985e-03 5.949150e-01 1.112975e-03 7.017340e-03 -6.000000e+00 1.956568e-01 232.94 -2.00 3.52 -2.00 320.52 0.00e+00 4.022404e-03 4.428571e-04 2.151113e-03 -6.000000e+00 8.624103e-03 287.13 -2.00 20.00 -2.00 319.87 0.00e+00 4.474 0.002 302.00 328.00 3 2.1933e+00 3.4726e-03 5.5662e-02 -6.0000e+00 4.9139e-01 4.5287e-02 4.3562e-03 3.3434e-02 -6.0000e+00 5.2881e-01 -9.8631e-02 3.8386e-03 1.7433e-02 -6.0000e+00 3.1447e-01 3.4987e-02 1.9110e-03 5.6485e-03 -6.0000e+00 1.3287e-01 3.5325e-04 -8.7259e-04 5.9575e-05 8.5630e-05 -6.0000e+00 9.4561e-03 -5.0846e-03 -4.0969e-05 12 8 8 10 0 0 -52.06 21.51 0.20 -0.00508 -0.01164 105 25 1 5 0 461.140 26.00 20.01 21.51 30.63 39.8 1059.96 -98629 -111337 -37653 -111737 -223112 -95922 -81051 -103039 -65836 -67999 -62963 -63335 -41638 -47219 -24286 -25699 -12914 -5351 -12653 -377 -15216 1919 -1279 -1962 -5296 -7214 -12737 -8462 -10172 -16185 -5734 1573 -1780 3541 -5819 742 -1742 1215 -50 4416 1387 6277 3903 -842 2258 4473 3539 2665 2933 881 5255 2761 6540 4248 2316 3244 533 564 1867 1741 1258 2031 3720 4262 3433 477 1502 579 2159 2297 1095 338 95 594 -516 -1651 -632 -2664 -1116 -643 -980 -2259 -1661 -2245 -638 -906 620 103 1237 531 299 183 -1021 -983 118 90 -608 539 507 -467 -520 -2038 -2224 -86 -142 -1903 -727 -520 -274 344 707 39 434 -55 186 -92 654 -49 857 748 -58 59 937 391 1060 720 -1143 686 1048 383 382 -612 -430 -194 323 -289 -674 288 244 -210 -43 -559 -1163 -1665 -313 -1671 -8818 -1199 -1051 -1704 -918 -945 -975 -1070 -718 -1080 -543 -678 -332 -141 -383 -11 -509 55 -40 -67 -198 -287 -538 -335 -421 -798 -303 88 -118 227 -395 50 -138 111 -5 504 179 820 549 -127 337 671 548 434 499 165 1055 625 1548 1111 593 855 147 154 496 470 363 647 1302 1624 1331 185 586 238 986 1183 565 180 49 311 -250 -738 -272 -1221 -577 -359 -627 -1647 -1291 -1866 -525 -789 556 94 1105 453 256 149 -827 -847 106 93 -670 657 644 -581 -605 -2198 -2455 -97 -162 -2305 -932 -713 -388 534 1110 63 686 -89 285 -139 1001 -80 1368 1221 -93 98 1494 600 1563 1032 -1648 1049 1685 680 694 -1179 -872 -395 698 -651 -1551 665 557 -459 -90 -1178 SS 20240621T104415.7Z 8938.447404 202 1 48.35 2 76.44 70.57 113.28 251.73 0.00 1 0.00 1 0 25 2.310e-01 8.943e-03 3.674e-02 1.581e-03 5.580081e-01 8.812287e-04 6.519234e-03 -6.000000e+00 1.423782e-01 232.94 -2.00 3.52 -2.00 320.26 0.00e+00 2.935204e-03 3.188187e-04 1.366091e-03 -6.000000e+00 6.275009e-03 287.13 -2.00 20.00 -2.00 319.57 0.00e+00 4.161 0.001 302.00 328.00 3 2.1249e+00 2.6731e-03 5.1624e-02 -6.0000e+00 3.5758e-01 9.2154e-03 3.2959e-03 3.0575e-02 -6.0000e+00 3.8479e-01 -4.1348e-02 2.8389e-03 1.5763e-02 -6.0000e+00 2.2882e-01 9.3516e-03 1.4303e-03 5.1077e-03 -6.0000e+00 9.6703e-02 5.3236e-04 -6.3184e-04 4.7946e-05 6.7604e-05 -6.0000e+00 6.8794e-03 -5.9068e-03 -1.4683e-05 11 8 0 10 0 0 81.57 21.52 0.16 -0.00591 -0.01065 144 35 1 5 0 335.710 26.00 20.01 21.52 30.67 39.8 1060.43 -78908 -53644 -74358 -48747 -174729 -66712 -69062 -55510 -60822 -35175 -63253 -24458 -34560 -28620 -8213 -4141 -10119 304 -9212 -1057 949 2413 51 -814 -4075 -2698 -7700 2309 -4259 -10056 -1775 1306 250 1595 -3391 -2359 1540 -1367 808 961 563 -310 644 -1566 1018 1402 982 111 1539 -784 2777 1373 3418 1910 1810 1168 1204 339 908 188 1244 2275 2489 2875 2816 -892 1246 -525 1298 1421 901 91 185 108 -1 -1369 168 -2098 -722 -137 -776 -1565 -1505 -2372 -334 -548 596 570 1162 464 431 51 -789 -283 405 50 -309 824 419 -571 -605 -1638 -2178 48 -68 -1603 -602 -561 -256 331 850 143 201 183 -80 8 676 -93 395 638 -94 -207 734 356 871 804 -1191 412 831 171 415 -370 -647 -347 435 -77 -600 279 300 -356 212 -552 -984 -637 -1042 -548 -5973 -884 -939 -821 -963 -510 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