File name: Pandora187s1_PittsburghPA_20241127_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241128T051535.6Z 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: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20241127_L1_smca1c5d20230706p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20241127 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20241127T142515.8Z 9097.600877 208 1 45.74 2 72.38 140.48 52.53 180.92 0.00 1 0.00 1 0 25 7.379e-02 7.218e-03 8.432e-02 4.845e-03 4.295963e-01 2.484950e-03 5.147374e-03 -6.000000e+00 4.219036e-02 223.02 -2.00 3.49 -2.00 319.89 0.00e+00 1.822072e-03 7.665835e-04 9.565616e-04 -6.000000e+00 1.849908e-03 277.90 -2.00 20.00 -2.00 319.32 0.00e+00 3.258 0.001 302.00 328.00 3 3.8786e+00 7.1142e-03 3.8749e-02 -6.0000e+00 1.0387e-01 3.4201e-02 8.5463e-03 2.3609e-02 -6.0000e+00 1.1289e-01 7.0850e-03 7.2761e-03 1.1292e-02 -6.0000e+00 6.7289e-02 -1.4841e-02 3.7940e-03 4.1215e-03 -6.0000e+00 2.9017e-02 2.7482e-04 -8.0579e-05 1.4629e-04 4.2460e-05 -6.0000e+00 2.0523e-03 -1.1563e-02 4.4388e-05 11 8 0 10 0 0 99.99 18.66 0.38 -0.01156 -0.01217 109 33 1 5 0 419.530 22.09 15.00 18.66 11.20 30.0 909.66 -7100 -22069 -4918 -37981 -15174 -37813 -1934 -27103 -11551 -27594 -5182 -27430 1263 -12249 -12576 -4232 -7982 82 -6245 2525 -1643 -266 -16126 4806 -4134 -5944 -7236 -9427 -6758 1626 -4122 -1693 10846 458 -4950 -3366 -1809 -877 -1023 -1772 -2061 -2532 2057 1024 2495 -977 2138 -636 -1492 1345 640 199 999 738 2075 1288 350 1686 1180 907 779 2429 2483 1844 786 -220 -376 -730 688 877 1138 466 1160 988 635 -188 -256 -1603 -4556 -972 -1272 -1144 -2227 -2003 -820 0 -1512 1105 1185 1667 860 724 40 822 -318 -674 255 408 -165 0 -367 -771 238 173 -1184 -743 -587 -363 566 268 120 202 691 -51 -88 43 -291 -155 -435 -543 -944 180 -409 299 -45 -106 949 1673 569 671 547 333 6 295 27 -246 271 -384 -230 -40 -37 -659 -93 -385 -77 -801 -251 -759 -29 -587 -241 -728 -112 -799 33 -444 -550 -197 -421 4 -371 144 -100 -16 -1181 307 -308 -473 -590 -753 -506 116 -349 -159 1003 49 -536 -356 -208 -118 -167 -343 -444 -581 470 241 583 -239 508 -156 -374 342 178 61 325 257 744 480 134 633 435 334 300 1005 1140 923 400 -107 -176 -348 355 513 722 308 749 605 358 -96 -132 -839 -2481 -589 -882 -881 -1857 -1760 -763 0 -1581 1150 1220 1625 780 608 32 668 -288 -693 294 522 -222 -1 -444 -853 249 189 -1418 -931 -774 -506 845 437 208 354 1161 -82 -130 61 -425 -238 -713 -923 -1601 294 -648 450 -65 -146 1268 2346 888 1136 983 621 11 557 53 -515 576 -832 -490 -81 -79 -1340 SS 20241127T144433.8Z 9097.614280 218 1 45.57 2 70.15 144.60 52.84 186.75 0.00 1 0.00 1 0 17 7.746e-02 1.000e-02 8.666e-02 6.040e-03 3.909594e-01 3.069180e-03 4.726131e-03 -6.000000e+00 4.426499e-02 223.02 -2.00 3.49 -2.00 319.36 0.00e+00 7.901755e-04 8.119115e-04 8.112998e-04 -6.000000e+00 1.941914e-03 277.90 -2.00 20.00 -2.00 318.77 0.00e+00 2.914 0.000 302.00 328.00 3 4.9573e+00 8.5241e-03 3.4650e-02 -6.0000e+00 1.0898e-01 4.4686e-02 1.0003e-02 2.0773e-02 -6.0000e+00 1.1847e-01 2.7357e-02 7.9249e-03 1.0179e-02 -6.0000e+00 7.0610e-02 -2.4466e-02 4.1988e-03 3.1852e-03 -6.0000e+00 3.0429e-02 1.3375e-04 -3.1562e-04 1.8037e-04 3.3987e-05 -6.0000e+00 2.1554e-03 -1.0500e-02 -8.4777e-05 12 8 8 10 0 0 99.96 18.66 0.47 -0.01050 -0.01287 30 9 1 5 0 1518.690 22.09 15.00 18.66 12.53 30.4 918.68 56195 36227 -14526 -3069 -21672 -3994 2918 -3800 -9190 -569 -21895 22375 -7309 578 -12358 5977 -6018 6261 -8628 8944 6517 -12381 -8551 -873 6597 -9321 5895 -719 -825 -5637 -1427 -3555 24149 368 -3040 -1111 -2667 -2579 -5187 -1403 -5301 35 -191 2156 464 996 83 -1764 -1837 666 2339 -75 -1379 402 3816 -458 2620 -274 3746 -839 1528 2493 4439 861 1506 -2296 -632 -296 232 581 900 138 664 1012 -133 996 -2026 561 -8657 -39 -1477 -550 -1705 -1350 441 -473 -2143 717 1332 1758 1376 642 1325 155 759 -850 543 -399 112 -151 180 -415 188 629 -1364 -591 -1090 -476 998 569 26 863 57 -71 -149 -412 -557 -133 -178 -672 -1158 342 -381 -346 -16 -375 724 1754 981 209 943 407 430 540 266 -399 120 -461 -527 -7 -4 -536 662 591 -415 -75 -579 -87 63 -100 -287 -18 -853 598 -308 27 -778 357 -439 431 -731 664 508 -1167 -806 -82 613 -1064 582 -72 -79 -582 -156 -446 2549 51 -416 -148 -400 -456 -1140 -349 -1513 10 -57 635 139 300 25 -543 -569 208 778 -28 -555 169 1615 -208 1176 -125 1612 -377 698 1229 2367 511 888 -1321 -342 -161 138 389 652 104 490 706 -86 571 -1201 322 -5506 -26 -1138 -465 -1556 -1296 446 -514 -2477 822 1501 1873 1357 587 1136 136 729 -934 662 -544 147 -206 227 -481 209 728 -1733 -783 -1525 -650 1443 894 43 1434 91 -106 -224 -599 -826 -192 -276 -1081 -1865 527 -573 -534 -24 -527 984 2484 1531 330 1557 697 763 1009 530 -828 236 -990 -1117 -15 -8 -1002 SS 20241127T144946.1Z 9097.617895 221 1 46.64 2 69.59 145.75 52.98 188.31 0.00 1 0.00 1 0 17 1.268e-01 1.756e-02 1.444e-01 9.848e-03 3.806243e-01 4.979536e-03 4.604631e-03 -6.000000e+00 7.246570e-02 223.02 -2.00 3.49 -2.00 319.24 0.00e+00 2.158277e-03 1.270982e-03 3.835784e-04 -6.000000e+00 3.179293e-03 277.90 -2.00 20.00 -2.00 318.66 0.00e+00 2.838 0.000 302.00 328.00 3 5.7138e+00 1.3763e-02 3.3689e-02 -6.0000e+00 1.7841e-01 7.4064e-02 1.6075e-02 2.0054e-02 -6.0000e+00 1.9394e-01 1.3409e-02 1.2523e-02 9.9460e-03 -6.0000e+00 1.1560e-01 -1.4659e-02 6.6478e-03 3.7354e-03 -6.0000e+00 4.9810e-02 6.6972e-05 -2.4284e-04 2.9265e-04 3.7577e-05 -6.0000e+00 3.5290e-03 -9.9053e-03 -9.0840e-05 12 8 8 10 0 0 99.91 18.66 0.36 -0.00991 -0.01173 23 7 1 5 0 2027.350 22.09 15.00 18.66 12.71 30.5 919.71 52326 34738 -9104 12420 -25706 -29236 80159 18931 -7528 5245 -34465 4779 -17658 14036 -29035 -2998 -13372 25979 -11564 21938 17214 -17532 -26217 2346 9464 -13619 -1703 -5130 4272 -7472 -5841 -10846 50419 8998 -3999 2569 1267 -1198 -786 2870 -4715 109 -978 6305 1613 764 2618 -2516 -1151 -1632 2410 -1511 -1186 1024 5455 -2688 1686 1061 4159 -235 573 3394 5018 1855 4323 -2718 -960 -374 2130 1178 1735 1557 603 854 -1652 734 -2732 -131 -16570 -786 -2222 1 -2034 -1101 1097 -452 -4319 1892 2057 1960 1776 946 2656 1040 1073 -1377 10 -1466 143 1189 334 -1721 -87 446 -1960 -1150 -1714 447 2138 1565 -138 1620 92 -875 -388 -320 149 213 -320 -267 -1787 -108 -401 -90 -1635 -344 2201 1822 1401 465 1179 71 740 249 82 -763 549 -465 -590 -406 10 -313 718 643 -275 290 -793 -902 880 428 -248 162 -1607 161 -872 607 -2290 -208 -1110 1550 -1063 1620 1360 -1816 -3057 236 937 -1770 -197 -587 426 -861 -733 -1602 4469 1249 -600 359 197 -225 -177 729 -1421 33 -311 1891 510 245 822 -829 -376 -553 846 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