File name: Pandora75s1_EssexMD_20250107_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250108T052034.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250107_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250107 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20250107T141709.9Z 9138.595253 112 1 50.18 2 73.95 138.21 116.28 47.08 0.00 1 0.00 1 0 17 3.999e-01 1.671e-02 1.260e-01 3.905e-03 5.161889e-01 2.087010e-03 6.145607e-03 -6.000000e+00 2.390456e-01 223.70 -2.00 3.48 -2.00 319.79 0.00e+00 2.604229e-03 6.397165e-04 1.846975e-03 -6.000000e+00 1.039058e-02 277.15 -2.00 20.00 -2.00 319.25 0.00e+00 3.556 0.001 302.00 328.00 3 4.3088e+00 5.9207e-03 4.4435e-02 -6.0000e+00 5.8910e-01 9.4921e-02 7.0805e-03 2.7340e-02 -6.0000e+00 6.3810e-01 -9.3088e-02 6.0577e-03 1.4848e-02 -6.0000e+00 3.8018e-01 3.3512e-02 3.1499e-03 5.0784e-03 -6.0000e+00 1.6283e-01 1.0819e-04 -6.7774e-04 1.2004e-04 7.2436e-05 -6.0000e+00 1.2294e-02 -2.5566e-02 2.7028e-04 12 8 8 10 0 0 65.70 22.72 0.14 -0.02557 -0.03066 13 2 1 5 0 3859.910 25.68 20.00 22.72 4.60 5.7 859.03 -176417 -3697 -27268 38862 -107992 -29870 5615 33755 -92153 -49220 -94251 -29083 65695 357479 -21588 13974 -10325 -15056 96408 12298 21561 29489 -1484 8103 -8122 15671 29874 15504 10757 2344 11465 -9300 5581 7210 20093 29715 -16612 -365 6948 2087 -629 6175 5094 -8 6100 9810 8868 -1861 3877 4471 2189 1308 7752 5293 -1204 -218 185 -1001 -1661 -1538 864 3371 2669 193 1826 -2226 -2480 -615 5095 6140 -1677 993 -466 -1209 -1003 57 -3600 -4310 -2176 -2730 -897 -6615 -1146 -54 -167 -1553 2321 674 263 3361 -1066 -1255 -514 -2657 -2512 1201 599 974 840 636 -1438 -2006 -783 -885 -385 -1279 148 -106 394 1537 1658 481 -253 -601 -526 182 384 315 -131 467 621 1295 1931 358 802 -1070 79 -1881 -625 173 -353 -842 92 -291 -174 98 582 1037 -595 195 -202 -706 -9710 -42 -425 309 -3476 -424 58 292 -3126 -1293 -3719 -720 750 1361 -888 474 -499 -831 1872 581 952 1213 -86 454 -569 907 1524 891 635 157 790 -907 527 711 1714 2297 -2214 -48 1021 380 -132 1298 1133 -2 1394 2189 2019 -479 968 1168 635 420 2530 1728 -441 -82 70 -385 -630 -579 329 1361 1205 97 935 -1157 -1264 -314 2660 3562 -1149 690 -326 -808 -616 31 -1919 -2317 -1250 -1816 -672 -5401 -962 -48 -157 -1578 2375 719 280 3332 -1030 -1133 -442 -2379 -2456 1282 676 1223 1120 840 -1825 -2350 -925 -1061 -450 -1594 192 -147 548 2309 2676 811 -424 -962 -793 262 556 475 -210 768 1017 2052 2942 532 1221 -1596 115 -2899 -967 291 -642 -1511 170 -572 -361 199 1201 2157 -1244 415 -411 -1381 SS 20250107T142246.8Z 9138.599153 115 1 52.83 2 73.23 139.34 115.49 48.25 0.00 1 0.00 1 0 17 2.341e-01 1.094e-02 1.785e-01 6.451e-03 5.053563e-01 3.514134e-03 6.004200e-03 -6.000000e+00 1.398092e-01 223.70 -2.00 3.48 -2.00 320.38 0.00e+00 4.519596e-03 1.252445e-03 1.531823e-03 -6.000000e+00 6.081727e-03 277.15 -2.00 20.00 -2.00 319.86 0.00e+00 3.413 0.001 302.00 328.00 3 4.2713e+00 1.0434e-02 4.2965e-02 -6.0000e+00 3.4454e-01 1.1756e-01 1.2817e-02 2.6537e-02 -6.0000e+00 3.7334e-01 -6.5185e-02 1.1714e-02 1.5231e-02 -6.0000e+00 2.2242e-01 1.1823e-02 5.9759e-03 6.2102e-03 -6.0000e+00 9.5172e-02 1.2694e-04 -1.9348e-03 2.0733e-04 8.7639e-05 -6.0000e+00 7.2000e-03 -2.3897e-02 5.1686e-05 12 9 8 11 24 0 46.84 22.72 0.49 -0.02390 -0.03844 15 2 1 5 0 3521.510 25.68 20.01 22.72 4.92 5.7 860.95 -93066 -19538 -40491 5772 -117572 -112830 -25245 -47570 -6301 -68389 121090 -79650 9934 -28845 17451 -379 -29374 -31136 17198 -9961 -16511 -13374 -31433 22662 15362 -5374 -15852 -7026 6347 -20403 84 12131 20870 5277 -1932 -17753 1273 -8440 -2963 2174 9416 -799 7283 2786 -4053 -1412 8763 1500 2884 4317 12355 -2112 -205 2997 3390 -880 -398 -695 2935 1541 1861 3048 2183 6123 182 1347 -2124 -1343 1529 3740 -1071 1899 2136 1642 -1286 -1741 -837 -3729 -2343 -4951 -483 -3165 -1251 -1914 199 -313 1185 1362 1054 1204 -1047 -1031 -1839 -2122 -1848 320 587 233 1136 -38 -381 -1133 -108 -1374 -1433 -1329 -970 461 -152 952 1115 900 -773 -12 -1490 336 472 -285 646 656 187 1124 1132 31 473 -70 -535 59 180 -283 -404 -404 -250 114 -382 76 311 398 363 -28 -697 -366 -1561 -184 -509 50 -3227 -2839 -274 -707 -68 -1486 762 -2232 136 -726 339 -10 -1209 -1424 521 -416 -755 -596 -1725 765 589 -264 -879 -349 272 -1202 5 673 1193 374 -145 -1553 100 -844 -335 275 1238 -125 1099 452 -716 -272 1543 289 562 872 2495 -539 -56 843 996 -278 -127 -222 886 470 588 1035 831 2442 79 565 -900 -575 687 1842 -603 1081 1201 881 -653 -805 -358 -1642 -1110 -2768 -296 -2232 -938 -1534 166 -279 1090 1282 990 1083 -898 -824 -1416 -1666 -1579 303 630 281 1435 -48 -454 -1248 -111 -1446 -1600 -1567 -1203 601 -216 1457 1830 1524 -1310 -19 -2281 486 684 -434 1028 1081 308 1794 1747 47 674 -96 -725 83 276 -476 -732 -771 -496 237 -847 175 732 948 857 -65 -1523 -763 SS 20250107T142812.4Z 9138.602922 118 1 52.48 2 72.56 140.45 114.71 49.37 0.00 1 0.00 1 0 17 2.002e-01 1.055e-02 1.353e-01 5.232e-03 4.873635e-01 2.798445e-03 5.762376e-03 -6.000000e+00 1.196372e-01 223.70 -2.00 3.48 -2.00 320.12 0.00e+00 2.612040e-03 9.365496e-04 1.560674e-03 -6.000000e+00 5.201749e-03 277.15 -2.00 20.00 -2.00 319.59 0.00e+00 3.289 0.001 302.00 328.00 3 4.2835e+00 8.1047e-03 4.1416e-02 -6.0000e+00 2.9483e-01 8.6310e-02 9.8720e-03 2.5822e-02 -6.0000e+00 3.1941e-01 -5.2739e-02 8.7977e-03 1.4002e-02 -6.0000e+00 1.9030e-01 7.6389e-03 4.5315e-03 4.7702e-03 -6.0000e+00 8.1469e-02 1.4750e-04 -1.1847e-03 1.6612e-04 6.6519e-05 -6.0000e+00 6.1567e-03 -2.4807e-02 1.6182e-04 12 9 8 11 24 0 -14.60 22.73 0.27 -0.02481 -0.03371 16 3 1 5 0 3279.810 25.68 20.00 22.73 5.17 5.8 863.40 -57985 -62003 -41326 35923 -78922 -68907 -56931 77057 -78432 -38360 -56637 -55268 -67063 -27844 5107 -35827 -1835 -14563 -2297 -15765 812 9425 -7120 28420 539 11699 -15744 -4369 -18361 -6828 -13597 10935 8441 -3006 -13103 -14289 -1011 -1799 -1136 343 712 3606 5896 -2920 1733 5790 -545 -1010 1556 6225 -191 1046 -693 5330 624 -1202 1863 2849 1616 363 1654 2442 4195 2409 3022 1666 -2216 566 -306 1608 324 2341 1141 636 426 -2004 -1817 -4084 -1833 -172 -2164 -1290 -2056 -1962 -670 200 451 1436 1284 1845 -147 -428 -846 -2118 -3072 187 514 144 696 -476 251 -2060 -731 -1102 -1205 -1520 -763 -1056 619 1391 1147 1045 -283 -68 -1273 395 -721 267 596 -187 1132 1033 798 558 474 -602 -319 -21 207 -308 -32 -455 -59 32 133 267 -12 728 140 -241 -1011 -424 -887 -1150 -671 267 -1720 -1310 -1003 393 -2110 -747 -1392 -1461 -2364 -814 130 -1612 -66 -642 -96 -790 35 380 -350 1041 28 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