File name: Pandora55s1_QueensNY_20240907_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240908T050002.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240907_L1_smca1c18d20230426p1-8.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: 20240907 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240907T120402.6Z 9016.502807 82 1 24.30 2 72.84 97.31 120.01 84.57 0.00 1 0.00 1 0 25 3.388e-02 6.252e-03 6.986e-03 7.951e-04 4.408744e-01 4.179225e-04 5.215601e-03 -6.000000e+00 2.026490e-02 229.84 -2.00 3.51 -2.00 318.73 0.00e+00 3.975242e-04 9.375260e-05 2.359310e-04 -6.000000e+00 9.112063e-04 288.51 -2.00 20.00 -2.00 317.91 0.00e+00 3.339 0.001 302.00 328.00 3 9.0369e-01 1.1519e-03 4.0598e-02 -6.0000e+00 5.0451e-02 2.1741e-02 1.3230e-03 2.3196e-02 -6.0000e+00 5.4510e-02 -1.1051e-02 9.0992e-04 1.1239e-02 -6.0000e+00 3.2567e-02 -2.0815e-03 4.7371e-04 3.1298e-03 -6.0000e+00 1.3721e-02 4.5176e-03 -7.7443e-04 2.4106e-05 3.8407e-05 -6.0000e+00 1.0115e-03 -6.9606e-04 0.0000e+00 12 1 1 12 1 1 99.46 22.54 0.18 -0.00070 -0.00652 171 67 1 5 0 141.240 26.21 19.98 22.54 27.72 37.9 1061.87 -16371 -11233 -4877 -14119 -13961 -11794 -15126 -1134 -5808 -8060 -9649 -7748 -3886 -4447 1661 -2505 -1115 1295 1736 619 -1991 -859 960 -1891 -1632 -1274 -18 -2128 -1654 -191 419 1332 1294 -1285 -1149 42 -516 -600 785 -135 -1652 -858 -1629 -1104 -515 -64 -1000 -192 1 1035 924 930 1013 1270 769 723 1133 456 741 691 1478 1494 1529 729 -423 92 595 688 1306 1032 316 -204 -566 -648 -603 -153 144 788 1068 68 -41 -564 -1440 -1412 -1302 -1141 -842 -630 -464 -615 -69 442 739 1527 1430 1258 777 761 -203 -569 -458 -544 -84 615 -179 -912 -520 -835 -83 36 -78 -372 -246 -81 71 692 915 918 663 -152 -819 -430 -328 -258 36 173 273 1366 1158 381 490 13 292 231 205 -378 -206 129 -423 -451 -267 -186 -104 247 -503 -383 -168 -534 -496 -390 -532 -39 -237 -368 -470 -393 -215 -271 114 -210 -103 126 180 68 -235 -102 115 -245 -228 -175 -3 -298 -241 -27 63 205 225 -249 -225 8 -101 -133 192 -40 -571 -301 -608 -423 -199 -25 -394 -75 0 413 389 398 472 637 411 380 614 253 407 374 795 841 939 469 -294 64 396 441 852 741 243 -163 -468 -531 -494 -115 104 524 706 49 -32 -483 -1317 -1394 -1303 -1216 -912 -716 -540 -713 -76 477 736 1495 1410 1283 855 905 -260 -748 -600 -697 -102 736 -210 -1149 -666 -1127 -113 50 -119 -588 -387 -130 108 1018 1328 1326 960 -235 -1291 -686 -514 -391 55 250 391 1870 1608 552 749 21 487 386 360 -684 -378 245 -820 -877 -507 -350 -187 444 SS 20240907T121346.2Z 9016.509562 89 1 49.34 2 71.02 98.98 118.26 86.22 0.00 1 0.00 1 0 25 2.755e-01 2.666e-02 7.147e-02 5.433e-03 3.796162e-01 2.863425e-03 4.482641e-03 -6.000000e+00 1.646698e-01 229.84 -2.00 3.51 -2.00 319.14 0.00e+00 2.354526e-03 7.146221e-04 1.557896e-04 -6.000000e+00 7.498255e-03 288.51 -2.00 20.00 -2.00 318.32 0.00e+00 3.037 0.000 302.00 328.00 3 5.2170e+00 8.0132e-03 3.6272e-02 -6.0000e+00 4.0996e-01 4.7102e-02 9.3232e-03 2.0077e-02 -6.0000e+00 4.4305e-01 -3.0151e-02 6.4596e-03 9.8757e-03 -6.0000e+00 2.6485e-01 1.6689e-02 3.3180e-03 3.4362e-03 -6.0000e+00 1.1185e-01 8.5642e-05 -1.9269e-03 1.7149e-04 3.9026e-05 -6.0000e+00 8.2321e-03 4.5607e-03 0.0000e+00 12 9 8 11 32 0 100.00 22.53 0.11 0.00456 -0.00992 18 3 1 5 0 2740.590 26.21 20.02 22.53 28.10 37.9 1063.33 -50307 -72338 900000 -71775 146184 71207 -2660 58458 44219 -5325 -29222 -29341 -28541 -2664 -18365 8995 -30395 59035 124459 71134 -13963 22909 10307 -35591 -394 -7358 146034 -8506 -7443 -14735 6863 18908 -1793 -4211 7568 54259 -11255 -8400 14751 16659 -8676 11151 -11646 -2493 -4264 23041 -8191 14592 6279 9700 -218 -2975 -4920 15030 13516 2116 13574 2424 8104 -3839 -1737 7783 2848 -6383 4337 -6300 6579 -3005 -154 1353 -1111 2499 3129 -3920 6056 -1353 2455 7376 -709 -3844 -5501 4485 -1675 -1169 -3779 -999 -2053 -837 -4051 -346 -1434 -2370 601 3115 -1043 188 -2778 -813 -838 -464 -342 -1303 27 2903 2203 343 -143 -2032 585 2850 1566 -2046 506 -302 -1460 -402 631 3072 -2 -291 -2851 510 1646 3553 32 506 -1430 -33 579 -854 1324 1515 1935 331 1469 149 556 36 -595 -1827 -889 -666 -183 -595 -2469 -4953 900000 -5189 1409 1263 -92 1272 1208 -244 -1720 -1794 -1923 -165 -1540 672 -3574 3249 4002 3888 -1716 2034 1039 -5672 -48 -1005 5016 -1180 -988 -2062 824 2231 -285 -729 1190 5401 -2089 -1690 2821 3655 -2714 3149 -4240 -860 -1513 6462 -3052 4425 2050 3105 -79 -1182 -2142 5813 5569 995 5952 1182 3748 -1952 -872 3731 1537 -4045 2641 -4215 3782 -1803 -91 853 -787 1843 2359 -3120 4263 -952 1539 4142 -423 -2508 -4070 3378 -1450 -1069 -3712 -1011 -2211 -929 -4725 -391 -1588 -2505 582 2799 -969 183 -3025 -955 -1070 -619 -455 -1667 32 3239 2512 417 -184 -2742 807 4058 2383 -3345 830 -492 -2302 -599 895 4260 -4 -445 -4623 820 2602 5425 48 745 -2062 -46 802 -1258 2039 2445 3219 568 2592 275 1066 70 -1190 -3705 -1767 -1288 -342 -1094 SS 20240907T122242.4Z 9016.515769 95 1 50.80 2 69.35 100.54 116.65 87.71 0.00 1 0.00 1 0 17 2.898e-01 1.551e-02 9.196e-02 4.091e-03 3.660146e-01 2.148976e-03 4.322162e-03 -6.000000e+00 1.733714e-01 229.83 -2.00 3.51 -2.00 319.05 0.00e+00 1.755407e-03 5.239040e-04 4.260020e-04 -6.000000e+00 7.886372e-03 288.51 -2.00 20.00 -2.00 318.23 0.00e+00 2.807 0.000 302.00 328.00 3 4.8184e+00 5.9942e-03 3.4087e-02 -6.0000e+00 4.3164e-01 1.8500e-02 6.9543e-03 1.9777e-02 -6.0000e+00 4.6629e-01 2.1434e-02 4.8304e-03 9.3907e-03 -6.0000e+00 2.7876e-01 -1.4217e-02 2.4944e-03 3.3359e-03 -6.0000e+00 1.1788e-01 1.6273e-04 -2.5244e-04 1.2932e-04 3.6062e-05 -6.0000e+00 8.6552e-03 -2.9295e-03 0.0000e+00 12 8 8 10 0 0 100.00 22.53 0.22 -0.00293 -0.00483 68 13 1 5 0 746.850 26.21 20.00 22.53 28.01 37.9 1062.76 -23454 -41260 900000 -52875 10553 25868 -12084 301068 7817 6852 -52229 -4733 -26264 1414 72140 1962 -12979 -4033 47576 25203 -10752 5338 6389 -19352 -1227 -3220 51150 -3038 -2919 -11690 -152 12834 367 -3585 -2083 38193 -6824 -6878 4083 8187 -4454 2142 -6225 -5872 -1282 7795 -4683 2749 2581 5316 1178 116 -4211 9103 5913 2407 2682 2522 3850 -281 -284 4175 778 -2713 1499 -4105 3091 -2299 1152 584 253 511 1102 -3076 2757 -1317 1649 3930 404 -1349 -2957 2686 -2019 -562 -2804 -811 -2123 -1121 -1755 -357 -427 -710 914 1349 1580 1412 -129 -278 228 -502 -248 -681 -163 2406 1023 214 -699 -888 38 1138 941 -1109 323 -372 -677 174 691 1714 358 -516 -2135 -292 458 1604 -143 308 -848 512 270 -5 559 1255 546 481 291 -549 -42 210 250 -1098 -147 -542 66 -107 -899 -2106 900000 -3177 340 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