File name: Pandora55s1_QueensNY_20240811_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240812T053800.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240811_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240811 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240811T112818.9Z 8989.477996 81 1 50.56 2 75.05 82.86 147.35 49.10 0.00 1 0.00 1 0 25 7.881e-02 6.266e-03 1.505e-02 9.398e-04 4.952417e-01 5.014200e-04 5.733357e-03 -6.000000e+00 4.752356e-02 231.91 -2.00 3.51 -2.00 319.49 0.00e+00 1.421813e-03 1.438892e-04 3.661008e-04 -6.000000e+00 2.141476e-03 290.22 -2.00 20.00 -2.00 318.68 0.00e+00 3.799 0.001 302.00 328.00 3 1.2552e+00 1.4406e-03 4.6232e-02 -6.0000e+00 1.1885e-01 7.9628e-03 1.7080e-03 2.6569e-02 -6.0000e+00 1.2824e-01 -1.5521e-02 1.3179e-03 1.2778e-02 -6.0000e+00 7.6492e-02 -1.1296e-03 6.8398e-04 4.1825e-03 -6.0000e+00 3.2309e-02 1.9472e-03 9.0766e-05 2.8369e-05 4.4693e-05 -6.0000e+00 2.3706e-03 1.4990e-02 0.0000e+00 12 1 1 12 4 4 80.58 11.68 0.24 0.01499 0.01567 218 41 1 5 0 231.900 26.21 20.00 11.68 28.78 38.0 1076.45 -32090 19052 -36215 -21974 -30847 -30943 3718 -22714 -26245 -30287 -18579 -15640 -12731 6543 -3991 -7362 -4861 6055 1633 -4771 1656 584 -5931 -1501 -3907 4825 -4286 -4610 -5264 -1654 584 176 -2704 -1782 3474 -3450 -1812 -835 -451 -1946 -397 -2376 -1503 -658 1074 -1291 617 664 1816 1211 1218 304 1984 1386 959 702 -61 826 338 1244 1905 1766 264 493 -60 1320 477 1609 1034 300 -289 -588 -945 -317 -109 93 838 1002 110 -460 -414 -1594 -1319 -1193 -1083 -801 -457 -341 -419 192 407 883 1313 1465 1053 751 631 -240 -593 -471 -600 87 780 24 -1007 -605 -814 -96 4 -55 -488 -295 -17 -36 719 1014 988 466 -301 -757 -560 -276 -294 -70 113 336 1393 920 209 507 84 313 128 226 -369 -93 228 -408 -481 -260 -171 -32 212 -615 239 -794 -396 -582 -605 58 -522 -686 -872 -512 -485 -469 243 -180 -388 -273 330 99 -322 107 39 -449 -118 -337 393 -378 -398 -461 -151 60 21 -332 -220 431 -442 -260 -143 -93 -436 -96 -624 -406 -180 292 -364 173 189 528 377 415 108 748 561 409 311 -28 370 150 549 878 842 141 284 -35 739 263 906 648 201 -212 -423 -673 -225 -71 58 488 588 72 -328 -320 -1325 -1183 -1138 -1050 -825 -493 -360 -439 201 399 842 1188 1348 1063 820 746 -305 -773 -612 -765 105 889 28 -1208 -768 -1046 -130 6 -84 -777 -469 -27 -55 1086 1461 1423 703 -465 -1231 -918 -443 -456 -108 168 498 1975 1338 319 818 142 554 228 409 -712 -183 459 -816 -964 -524 -330 -61 391 SS 20240811T113905.8Z 8989.485484 84 1 50.43 2 73.02 84.56 145.86 52.71 0.00 1 0.00 1 0 25 3.471e-02 6.011e-03 6.063e-03 6.212e-04 4.427156e-01 3.294031e-04 5.162675e-03 -6.000000e+00 2.092989e-02 231.91 -2.00 3.51 -2.00 318.95 0.00e+00 6.443559e-04 7.892221e-05 2.468873e-04 -6.000000e+00 9.431437e-04 290.22 -2.00 20.00 -2.00 318.10 0.00e+00 3.372 0.001 302.00 328.00 3 9.4759e-01 9.1939e-04 4.1067e-02 -6.0000e+00 5.2341e-02 6.6969e-03 1.0628e-03 2.3488e-02 -6.0000e+00 5.6477e-02 -1.2657e-02 7.4939e-04 1.1328e-02 -6.0000e+00 3.3688e-02 -1.7157e-03 3.9049e-04 3.3019e-03 -6.0000e+00 1.4229e-02 4.2403e-03 1.7421e-04 1.9012e-05 3.7313e-05 -6.0000e+00 1.0440e-03 1.5124e-02 0.0000e+00 12 1 1 12 4 4 72.26 11.67 0.21 0.01512 0.01643 384 73 1 5 0 131.280 26.21 19.97 11.67 29.75 38.1 1082.90 -16409 -1223 -18540 -10451 -8631 -16023 473 -8225 -5944 -13122 -6573 -8747 -3287 474 -1887 -3045 -7805 2574 -278 -747 -127 1414 -2718 -708 -2045 919 -2843 -1781 -969 -49 1966 951 -1651 -1227 1457 -1718 -239 655 -174 -1185 -1023 -1319 -1167 -592 -131 -482 -395 -52 1150 1046 767 941 1300 933 597 546 279 465 760 1378 1807 1384 644 -102 174 885 656 1441 821 145 -279 -444 -603 -428 -287 356 551 923 72 -250 -503 -1545 -1150 -1105 -1043 -814 -515 -342 -506 23 532 740 1360 1502 1133 810 727 -353 -542 -506 -630 -25 715 -159 -997 -540 -805 -202 -53 -139 -369 -194 -17 71 642 896 821 523 -240 -662 -511 -232 -366 24 -14 334 1433 983 421 558 85 346 87 242 -288 -171 177 -433 -537 -254 -148 -63 174 -501 -35 -622 -304 -235 -485 14 -293 -226 -564 -281 -435 -185 28 -135 -245 -714 227 -27 -75 -13 145 -306 -85 -264 118 -374 -224 -120 -6 284 144 -279 -209 236 -298 -46 151 -45 -356 -336 -458 -418 -214 -48 -177 -145 -19 430 413 308 412 611 467 294 278 145 240 385 696 953 801 389 -66 113 548 419 882 557 105 -220 -362 -486 -328 -214 240 367 613 50 -187 -428 -1400 -1064 -1087 -1095 -865 -574 -390 -574 25 564 725 1320 1470 1147 881 853 -444 -725 -673 -789 -29 844 -185 -1242 -680 -1071 -282 -76 -208 -570 -308 -27 110 961 1277 1168 777 -365 -1021 -799 -369 -566 36 -21 472 2019 1414 629 875 139 588 149 432 -528 -319 339 -849 -1058 -487 -283 -114 308 SS 20240811T115836.6Z 8989.499035 97 1 17.00 2 69.34 87.66 142.98 58.65 0.00 1 0.00 1 0 25 8.533e-02 9.300e-03 2.515e-02 3.499e-03 3.672341e-01 1.849500e-03 4.315484e-03 -6.000000e+00 5.143896e-02 231.91 -2.00 3.51 -2.00 318.46 0.00e+00 6.135038e-04 3.802273e-04 1.768597e-04 -6.000000e+00 2.318731e-03 290.22 -2.00 20.00 -2.00 317.59 0.00e+00 2.805 0.000 302.00 328.00 3 3.7348e+00 5.0606e-03 3.4129e-02 -6.0000e+00 1.2864e-01 1.6917e-02 5.7780e-03 1.9446e-02 -6.0000e+00 1.3882e-01 5.1555e-03 3.7989e-03 9.3558e-03 -6.0000e+00 8.2805e-02 -5.9294e-03 1.9536e-03 2.6792e-03 -6.0000e+00 3.4955e-02 4.8846e-04 6.9921e-05 1.0803e-04 3.1333e-05 -6.0000e+00 2.5670e-03 1.8228e-02 0.0000e+00 12 9 1 12 5 5 99.99 11.56 0.26 0.01823 0.01875 14 9 1 5 0 1132.640 26.21 19.98 11.56 30.43 38.1 1083.68 -12740 58120 -17402 -4992 14607 -22352 56864 -8318 3470 -17710 -617 -11833 1413 15980 -441 -8039 -14435 20838 8263 -2875 -2939 4149 -6743 -549 -2307 10921 179 -3076 -1935 -2935 4271 207 -2267 -2109 9906 -1802 -3114 2052 -394 -3769 -1105 -3391 -3295 -545 730 -2736 834 1885 1832 -85 -54 -1547 3521 1935 1219 2191 1727 2380 752 785 3098 1513 -199 523 -1097 1819 -566 1770 836 -20 -784 427 -1562 309 -330 651 2184 530 40 -1603 598 -2262 -833 -1633 -834 -1238 -558 -1192 -300 346 -240 636 959 604 1130 259 478 -26 -689 -204 -700 -168 1014 -48 113 -951 -422 134 778 154 -682 238 -548 -366 315 1276 1264 472 -688 -731 -650 -3 239 -299 657 -76 1118 496 69 589 386 210 165 643 -118 -64 315 -142 -890 -102 -561 -52 -37 -649 1640 -972 -234 544 -1200 1626 -485 195 -1254 -39 -918 113 1298 -47 -1003 -2025 2232 1041 -414 -431 578 -1086 -89 -400 1719 30 -519 -317 -506 755 42 -497 -464 1911 -397 -775 570 -130 -1429 -439 -1428 -1424 -232 310 -1194 352 787 776 -38 -26 -788 1816 1058 690 1264 1008 1379 437 459 1841 971 -138 376 -798 1246 -382 1185 606 -16 -661 365 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