File name: Pandora25s1_HoustonTX_20230518_L2Fit_fout2c9d20230101p1-8.txt File generation date: 20241218T021043.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Jimmy Flynn Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 25 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora25_OF_v7d20190903.txt Instrument calibration file used: Pandora25s1_CF_v9d20230101.txt Level 1 file used: Pandora25s1_HoustonTX_20230518_L1_smca1c9d20230101p1-8.txt Full location name: University Of Houston Short location name: HoustonTX Country of location: United States Location latitude [deg]: 29.7200 Location longitude [deg]: -95.3400 Location altitude [m]: 19 Local noon date: 20230518 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: Modification of session 8, but repeated E-MLE of HCHO. First and last pixel inside fitting window: 281 423 Nominal wavelengths inside fitting window [nm]: 305.0808 305.2213 305.3618 305.5022 305.6427 305.7831 305.9235 306.0640 306.2044 306.3447 306.4851 306.6255 306.7658 306.9062 307.0465 307.1868 307.3272 307.4675 307.6077 307.7480 307.8883 308.0285 308.1688 308.3090 308.4492 308.5894 308.7296 308.8698 309.0100 309.1501 309.2903 309.4304 309.5705 309.7106 309.8507 309.9908 310.1309 310.2710 310.4110 310.5511 310.6911 310.8311 310.9711 311.1111 311.2511 311.3911 311.5310 311.6710 311.8109 311.9508 312.0907 312.2306 312.3705 312.5104 312.6503 312.7901 312.9300 313.0698 313.2096 313.3494 313.4892 313.6290 313.7688 313.9085 314.0483 314.1880 314.3277 314.4675 314.6072 314.7468 314.8865 315.0262 315.1658 315.3055 315.4451 315.5847 315.7243 315.8639 316.0035 316.1431 316.2826 316.4222 316.5617 316.7013 316.8408 316.9803 317.1198 317.2592 317.3987 317.5382 317.6776 317.8170 317.9564 318.0958 318.2352 318.3746 318.5140 318.6534 318.7927 318.9320 319.0714 319.2107 319.3500 319.4893 319.6285 319.7678 319.9070 320.0463 320.1855 320.3247 320.4639 320.6031 320.7423 320.8815 321.0206 321.1598 321.2989 321.4380 321.5771 321.7162 321.8553 321.9944 322.1334 322.2725 322.4115 322.5506 322.6896 322.8286 322.9676 323.1065 323.2455 323.3845 323.5234 323.6623 323.8012 323.9402 324.0790 324.2179 324.3568 324.4957 324.6345 324.7733 324.9122 --------------------------------------------------------------------------------------- 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 20230518T120707.4Z 8538.504947 63 1 50.10 2 82.66 71.63 72.70 80.89 0.00 1 0.00 1 0 25 6.691e-01 3.409e-02 2.984e-01 9.206e-03 9.132989e-01 5.744416e-03 9.446930e-03 -6.000000e+00 4.089280e-01 231.01 -2.00 3.24 -2.00 322.08 0.00e+00 9.327222e-03 3.436563e-03 6.665558e-03 -6.000000e+00 2.111617e-02 290.34 -2.00 20.00 -2.00 321.57 0.00e+00 7.225 0.004 302.00 328.00 3 1.6320e+00 2.3605e-02 1.0158e-01 -6.0000e+00 1.0365e+00 1.0819e+00 3.2233e-02 9.4400e-02 -6.0000e+00 1.1373e+00 -1.4743e+00 2.6283e-02 2.5854e-02 -6.0000e+00 6.6695e-01 6.0758e-01 1.1972e-02 1.9392e-02 -6.0000e+00 2.8624e-01 2.7646e-05 -3.7212e-03 2.6227e-04 1.6421e-04 -6.0000e+00 2.1100e-02 1.0441e-02 0.0000e+00 12 8 8 10 0 0 46.95 24.77 0.45 0.01044 -0.01752 31 7 1 5 0 1615.670 27.26 20.00 24.77 28.19 28.8 1100.00 900000 900000 -63826 900000 -96985 -17830 900000 41103 900000 -84390 -158836 900000 -79394 900000 110981 -118393 900000 900000 900000 900000 900000 900000 209179 46060 33094 113852 5347 55242 303894 -56006 900000 900000 900000 105601 -22642 900000 900000 900000 900000 57183 27800 330919 73529 199442 900000 206375 6770 9246 900000 54101 900000 -44 76652 85085 56907 77557 91553 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-1687 -1553 -3019 -1830 1099 -3876 -2223 -4536 5133 -1893 -1687 -3485 2821 -4407 -3308 -3104 1242 -1965 -1877 79 -176 1565 -4799 -1655 1522 5046 6470 4596 2440 5168 162 2697 247 -975 260 -1757 2024 8434 621 -2078 1420 1877 -19 -2368 2581 -8676 -3002 SS 20230518T121813.1Z 8538.512651 66 1 49.52 2 80.37 72.90 70.37 82.06 0.00 1 0.00 1 0 17 5.056e-01 8.184e-03 1.756e-01 2.604e-03 7.444860e-01 1.467287e-03 7.751685e-03 -6.000000e+00 3.005154e-01 231.01 -2.00 3.24 -2.00 321.32 0.00e+00 4.351332e-03 7.696963e-04 5.892817e-04 -6.000000e+00 1.438217e-02 290.34 -2.00 20.00 -2.00 320.70 0.00e+00 5.695 0.002 302.00 328.00 3 1.3769e+00 5.3052e-03 6.8029e-02 -6.0000e+00 7.5328e-01 5.9222e-02 7.6839e-03 3.8966e-02 -6.0000e+00 8.1593e-01 -8.8828e-02 7.8095e-03 2.0451e-02 -6.0000e+00 4.8304e-01 2.5754e-02 3.6360e-03 1.0027e-02 -6.0000e+00 2.0599e-01 2.1846e-04 -1.1155e-03 7.2792e-05 9.5639e-05 -6.0000e+00 1.4615e-02 1.0375e-02 0.0000e+00 11 8 0 10 0 0 48.08 24.80 0.40 0.01037 0.00199 114 24 1 5 0 434.350 27.26 20.00 24.80 28.84 28.8 1100.00 -143998 900000 -232529 900000 -224585 33901 900000 -153520 900000 -189737 -230691 900000 -155054 169826 -43845 900000 -18292 -967 -31206 -40703 14393 -13287 -42446 -28374 -49246 -25279 -46010 -38376 -19713 -61168 46026 -7159 11570 -2176 -36438 17935 20925 127060 7626 -217 -6197 7346 -1761 6215 13553 3190 1631 -7448 11484 1167 14139 -2712 3736 5893 2743 4102 7575 -7590 1455 -696 2119 1050 -573 1190 -1315 1748 903 1379 4568 3275 1516 2010 79 895 3075 438 -4254 -1819 1407 358 -2 -1556 -1563 -431 -1002 -1151 446 64 -279 1128 868 1254 -461 73 -1264 330 -49 547 -578 -545 53 -748 27 -980 57 -1067 -1029 -966 347 104 132 -51 412 103 138 696 533 338 -797 -318 -628 272 487 175 -174 978 145 946 165 -69 77 -121 -115 598 -16 -466 100 117 -101 -416 194 -398 211 -478 900000 -2361 900000 -1968 86 900000 -872 900000 -1897 -3713 900000 -1903 431 -314 900000 -145 -7 -347 -529 114 -140 -629 -404 -928 -404 -916 -706 -311 -1609 538 -169 267 -61 -1388 417 526 1399 317 -12 -392 443 -122 415 869 233 126 -656 907 110 1331 -336 481 812 415 642 1183 -1365 236 -114 352 194 -123 283 -340 439 230 365 1303 1077 555 765 30 325 1008 134 -1289 -554 468 141 -1 -824 -905 -262 -650 -791 316 47 -204 794 581 794 -289 47 -918 270 -45 571 -657 -626 58 -761 25 -918 55 -1106 -1118 -1113 427 142 195 -80 651 160 209 1018 781 514 -1272 -522 -1027 429 746 263 -255 1381 202 1346 258 -120 144 -238 -236 1282 -36 -1097 239 282 -244 -990 441 -871 446 SS 20230518T122631.3Z 8538.518418 70 1 49.36 2 78.64 73.83 68.62 82.93 0.00 1 0.00 1 0 25 2.689e-01 5.244e-03 7.407e-02 1.461e-03 6.544434e-01 7.974099e-04 6.894868e-03 -6.000000e+00 1.592977e-01 231.01 -2.00 3.24 -2.00 320.76 0.00e+00 2.418697e-03 3.508311e-04 6.984321e-04 -6.000000e+00 7.148860e-03 290.34 -2.00 20.00 -2.00 320.07 0.00e+00 4.902 0.001 302.00 328.00 3 1.2345e+00 2.6122e-03 5.8768e-02 -6.0000e+00 3.9806e-01 3.1263e-03 3.4752e-03 3.3357e-02 -6.0000e+00 4.3075e-01 -2.7707e-02 3.3213e-03 1.6476e-02 -6.0000e+00 2.5609e-01 3.4099e-03 1.6248e-03 6.7422e-03 -6.0000e+00 1.0898e-01 5.8811e-04 -9.1159e-04 4.1160e-05 6.1472e-05 -6.0000e+00 7.6827e-03 9.7245e-03 0.0000e+00 10 0 0 10 0 0 21.12 24.81 0.33 0.00972 0.00287 199 42 1 5 0 248.010 27.26 20.00 24.81 29.50 29.1 1100.00 900000 -96035 -148857 -44820 -142592 -81195 900000 -62599 5926 -74717 -121978 -15233 -57414 -32480 -50652 900000 -13208 -8720 -11398 -27381 -12743 -21261 -7792 -19837 -6507 -10549 -17796 -14645 -12468 -21712 2370 957 -3915 -271 -17259 1477 2846 16393 -490 -1473 -2878 1058 -1868 1031 4386 2567 -1402 -3767 4287 423 4877 416 915 1998 1097 2435 1778 -2503 -504 273 -528 141 655 2071 -180 1796 597 801 1751 1757 497 652 86 -202 916 -96 -1497 -1420 389 -112 -246 -990 -1641 -1164 -863 -657 -433 157 272 1052 695 887 265 753 204 266 128 445 -92 -211 -212 -668 124 -584 -464 -1180 -552 -582 -59 -134 188 126 261 176 133 589 424 8 -323 -354 -563 -21 -33 165 225 503 254 891 298 -16 231 -56 72 176 -87 -209 -40 14 -139 -245 106 -214 133 900000 -581 -1642 -186 -1353 -424 900000 -349 21 -585 -1650 -91 -613 -351 -829 900000 -204 -144 -211 -633 -263 -487 -166 -527 -165 -297 -549 -429 -359 -757 78 36 -177 -13 -928 67 142 860 -38 -137 -285 109 -209 116 486 298 -174 -499 553 61 758 76 184 433 256 588 417 -613 -118 68 -128 37 197 690 -65 624 208 289 693 750 238 327 43 -96 421 -40 -595 -572 172 -55 -143 -621 -1141 -859 -680 -551 -361 134 232 912 567 676 195 567 172 244 137 511 -111 -255 -255 -734 130 -617 -496 -1348 -662 -709 -78 -189 292 200 417 286 204 863 622 12 -527 -576 -918 -34 -52 252 331 744 365 1308 466 -27 410 -106 144 359 -182 -464 -91 33 -324 -553 225 -448 268 SS 20230518T123244.3Z 8538.522735 73 1 49.44 2 77.34 74.52 67.30 83.59 0.00 1 0.00 1 0 25 2.007e-01 5.204e-03 3.629e-02 1.033e-03 5.981189e-01 5.493151e-04 6.342061e-03 -6.000000e+00 1.176358e-01 231.01 -2.00 3.24 -2.00 320.34 0.00e+00 2.219358e-03 2.088974e-04 3.138650e-04 -6.000000e+00 5.286535e-03 290.34 -2.00 20.00 -2.00 319.60 0.00e+00 4.436 0.001 302.00 328.00 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