File name: Pandora55s1_QueensNY_20240506_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240511T124252.6Z 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_20240506_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: 20240506 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 20240506T120226.5Z 8892.501695 119 1 30.78 2 65.93 88.17 54.68 110.04 0.00 1 0.00 1 0 25 3.121e-02 7.043e-03 6.833e-03 1.557e-03 3.581893e-01 8.186486e-04 4.233183e-03 -6.000000e+00 1.872106e-02 230.43 -2.00 3.51 -2.00 317.78 0.00e+00 -8.551976e-04 1.352696e-04 1.161697e-04 -6.000000e+00 8.220353e-04 282.77 -2.00 20.00 -2.00 317.04 0.00e+00 2.434 0.000 302.00 328.00 3 3.2854e+00 2.1890e-03 3.0763e-02 -6.0000e+00 4.6769e-02 2.5426e-02 2.4647e-03 1.8606e-02 -6.0000e+00 5.0584e-02 -5.8333e-03 1.5400e-03 9.0833e-03 -6.0000e+00 3.0072e-02 -1.9539e-04 7.7362e-04 2.5474e-03 -6.0000e+00 1.2650e-02 1.1015e-03 1.7368e-04 4.7726e-05 3.0655e-05 -6.0000e+00 9.3826e-04 1.3381e-02 0.0000e+00 12 9 1 12 13 1 99.75 22.82 0.20 0.01338 0.01469 29 9 1 5 0 1025.760 26.11 20.00 22.82 19.53 36.5 1072.58 -12493 14281 -14019 -4675 35 -4908 9196 195 -1876 -5987 -3869 -5559 -13345 5599 -1818 -4570 12661 5984 2926 -3100 430 2350 -2448 -279 -1232 -2940 -682 -1408 -1012 237 541 717 -1310 -1482 3410 -1637 -1416 1290 473 -1024 -424 -1149 -1250 -463 922 -1213 -206 -310 1035 440 188 -134 1515 1640 593 1730 784 1135 991 1511 1465 1221 -302 -32 -616 188 159 1169 849 24 -100 -617 -290 -257 -245 99 1195 733 39 -888 -524 -1818 -1206 -1381 -809 -1038 -503 -440 -350 -188 261 763 1113 1376 991 573 813 -202 -594 -455 -753 -194 907 -71 -522 -504 -650 -32 321 -34 -550 -227 -33 -195 311 799 1066 422 -129 -740 -147 -213 79 98 34 138 1202 1012 372 627 52 416 255 174 -245 -9 163 -292 -470 -278 -239 -393 -56 -969 918 -1151 -332 2 -340 619 16 -169 -582 -381 -608 -1788 729 -282 -784 1976 1037 543 -623 85 465 -526 -63 -294 -725 -162 -323 -226 54 132 191 -374 -426 918 -470 -447 461 195 -471 -207 -583 -648 -239 474 -631 -105 -158 527 231 104 -79 923 1036 388 1149 529 761 659 1004 1000 880 -233 -25 -493 144 118 872 673 21 -90 -570 -267 -229 -208 78 894 545 31 -758 -481 -1793 -1239 -1471 -894 -1193 -595 -529 -419 -220 291 807 1132 1394 1049 648 983 -260 -791 -604 -966 -236 1070 -85 -655 -654 -868 -44 456 -50 -844 -353 -50 -289 442 1097 1457 592 -188 -1115 -224 -322 117 142 48 191 1611 1364 522 919 80 647 404 282 -411 -15 286 -517 -837 -488 -411 -661 -93 SS 20240506T122117.7Z 8892.514788 131 1 51.82 2 62.35 91.24 51.39 113.93 0.00 1 0.00 1 0 17 1.889e-01 5.206e-02 8.498e-03 2.265e-03 3.028784e-01 1.185565e-03 3.738821e-03 -6.000000e+00 1.133511e-01 230.44 -2.00 3.51 -2.00 317.37 0.00e+00 1.284170e-02 1.759404e-04 7.929726e-04 -6.000000e+00 4.974608e-03 282.77 -2.00 20.00 -2.00 316.67 0.00e+00 2.144 0.000 302.00 328.00 3 4.7840e+00 3.1380e-03 2.8044e-02 -6.0000e+00 2.8318e-01 1.2940e-01 3.5060e-03 2.3965e-02 -6.0000e+00 3.0621e-01 -1.6121e-01 2.0712e-03 9.1740e-03 -6.0000e+00 1.8204e-01 9.0633e-02 1.0193e-03 1.0615e-02 -6.0000e+00 7.6642e-02 3.3184e-04 4.9545e-04 6.9129e-05 9.5835e-05 -6.0000e+00 5.6777e-03 8.7491e-03 0.0000e+00 12 9 8 11 4 0 99.97 22.82 0.32 0.00875 0.01247 13 2 1 5 0 3985.690 26.11 20.00 22.82 21.16 36.6 1080.97 35978 115659 32540 56552 64868 37413 55012 27529 18575 5710 8602 7113 -1916 39084 28535 21789 -88788 44317 38735 26805 28698 27466 8648 11050 2827 18141 966 2513 6534 10005 18326 16278 15333 14006 25375 7598 4659 6669 5003 -2732 -226 -4728 -1327 1001 6466 3115 9816 7490 8738 5866 4772 4288 7190 3832 613 476 -2762 -2257 -3373 -1533 2352 1618 -894 2215 -138 2688 241 1438 694 -1161 -1576 -1394 -3733 -1117 -3515 -2456 -169 -1105 -2355 -2027 384 -1976 -1655 -3210 -2307 -3346 -2127 -2421 -998 -989 -732 -695 -58 -481 -447 -417 416 24 340 963 176 542 1820 822 -273 -135 -617 590 1485 1128 -37 1048 514 -30 653 756 1955 1354 971 180 -8366 1993 2079 1055 1155 754 1534 953 909 1752 1626 1421 867 820 -109 383 -271 -581 -1224 -1050 -1377 -979 -1356 3940 6404 3821 4909 4741 3354 4259 2852 2115 722 1077 1000 -346 5773 5273 4638 -49250 8509 8076 6296 6578 6205 2260 2823 773 4326 263 662 1662 2596 4853 4796 4766 4378 6921 2415 1638 2587 2199 -1382 -118 -2644 -745 563 3542 1763 5272 4068 4715 3291 2807 2656 4517 2538 418 328 -1936 -1566 -2348 -1068 1660 1223 -731 1838 -116 2120 185 1094 560 -1017 -1455 -1312 -3541 -1009 -3072 -1991 -127 -830 -1873 -1752 353 -1966 -1711 -3474 -2582 -3931 -2565 -2974 -1214 -1175 -832 -744 -59 -487 -471 -471 502 31 453 1274 226 659 2131 982 -341 -176 -828 810 2102 1666 -56 1614 782 -44 913 1021 2617 1864 1392 268 -13304 2968 3039 1517 1616 1025 2022 1265 1248 2507 2408 2151 1335 1290 -178 642 -462 -1003 -2134 -1806 -2328 -1610 -2202 SS 20240506T130144.5Z 8892.542876 162 1 50.92 2 54.72 98.22 44.68 123.42 0.00 1 0.00 1 0 25 2.626e-02 8.310e-03 4.269e-03 1.733e-03 2.561421e-01 9.143548e-04 3.047790e-03 -6.000000e+00 1.575402e-02 230.44 -2.00 3.51 -2.00 316.70 0.00e+00 -9.046707e-05 1.134990e-04 4.933755e-05 -6.000000e+00 6.917222e-04 282.77 -2.00 20.00 -2.00 315.99 0.00e+00 1.726 0.000 302.00 328.00 3 4.7543e+00 2.4002e-03 2.1859e-02 -6.0000e+00 3.9357e-02 3.3606e-02 2.6797e-03 1.3228e-02 -6.0000e+00 4.2567e-02 2.6936e-03 1.5645e-03 6.4500e-03 -6.0000e+00 2.5306e-02 -3.0093e-03 7.3643e-04 1.7801e-03 -6.0000e+00 1.0646e-02 5.8604e-04 2.9413e-04 5.3675e-05 2.2856e-05 -6.0000e+00 7.8951e-04 1.2934e-02 0.0000e+00 11 9 0 11 4 0 99.82 22.82 0.27 0.01293 0.01514 35 7 1 5 0 1454.560 26.11 20.01 22.82 22.61 36.7 1088.47 -8651 13903 -8578 81 5854 -3707 11828 1306 1699 -5352 -1384 -5515 -8544 6152 -1187 -3175 -3193 5753 1677 -1062 -91 3149 2330 1104 -1106 5985 -1401 -1017 -774 -500 2960 451 -1114 -2331 5438 -2182 -1330 319 300 -1907 -687 -1945 -1854 -378 255 -1906 -415 -118 307 250 -299 -188 1895 1151 1097 1826 967 785 1224 1112 1917 815 -439 162 -549 347 -638 1095 526 550 133 558 -1059 467 -723 372 1138 682 -250 -1179 534 -1513 -604 -1718 -731 -1131 -216 -793 -302 -181 -234 143 935 1028 824 480 478 -9 -439 -419 -670 -155 999 103 -292 -540 -680 -111 629 13 -593 -150 -322 -488 295 687 729 794 -194 -945 -154 543 392 401 157 175 1004 395 19 746 604 179 273 187 -239 80 183 -273 -575 -275 -500 -267 -91 -1415 1931 -1423 12 744 -520 1572 211 291 -995 -252 -1107 -1961 1393 -315 -904 -943 1623 507 -335 -29 975 749 376 -399 2064 -500 -346 -253 -164 998 166 -431 -907 1930 -839 -556 150 161 -1140 -430 -1266 -1225 -248 166 -1253 -266 -74 191 158 -198 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