File name: Pandora55s1_QueensNY_20231229_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240113T084745.1Z 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_20231229_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: 20231229 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 20231229T144917.1Z 8763.617559 353 1 31.93 2 70.53 148.91 93.25 303.54 0.00 1 0.00 1 0 25 1.650e-01 1.009e-02 4.282e-02 2.618e-03 4.765590e-01 1.356371e-03 5.614064e-03 -6.000000e+00 9.638241e-02 223.24 -2.00 3.51 -2.00 319.09 0.00e+00 4.859050e-04 3.375517e-04 3.246526e-04 -6.000000e+00 4.286684e-03 276.38 -2.00 20.00 -2.00 318.52 0.00e+00 2.967 0.000 302.00 328.00 3 3.5927e+00 3.7167e-03 3.8161e-02 -6.0000e+00 2.3731e-01 4.8827e-02 4.3203e-03 2.4266e-02 -6.0000e+00 2.5822e-01 -8.5255e-03 3.3412e-03 1.2197e-02 -6.0000e+00 1.5391e-01 -2.0584e-03 1.7663e-03 3.6514e-03 -6.0000e+00 6.5733e-02 4.1201e-04 -8.5069e-05 7.8581e-05 4.3665e-05 -6.0000e+00 4.9500e-03 9.2214e-03 0.0000e+00 12 9 9 12 5 1 99.99 22.86 0.08 0.00922 0.00858 23 7 1 5 0 1330.150 26.21 20.01 22.86 17.61 35.7 1011.02 -48806 900000 -67117 -3234 -5144 -28218 139827 -11041 -900 -39326 -25118 -33334 -28240 40911 -1570 -24797 825 25555 7016 19104 5294 428 -16656 -1336 -5977 29715 -4776 -5874 -10859 -6651 1381 -306 -3027 -1904 13368 -3559 -3683 989 2180 -4023 2326 -5376 -2754 -142 6416 -2579 2567 1984 1805 144 330 -1910 5522 3781 1231 3263 409 1670 19 1966 2785 888 -1149 1206 -1203 972 314 1442 1576 -1400 151 253 -818 892 -1131 714 2157 193 -590 -863 574 -1520 -1125 -2053 -1068 -1915 -490 -415 -590 -109 77 659 1312 1586 368 286 601 -478 -492 -290 -971 -15 884 441 -870 -540 -1008 277 804 127 -660 -245 -187 -15 488 882 1111 284 66 -921 -819 182 389 9 -53 198 1318 1210 -271 656 99 474 304 555 -103 -4 191 -261 -895 -438 -234 -258 93 -1572 900000 -2774 -71 -110 -766 925 -320 -26 -1690 -1008 -1634 -1571 1449 -95 -2075 59 1555 535 1347 433 37 -1788 -134 -666 2470 -537 -649 -1250 -781 169 -43 -471 -299 1792 -570 -659 200 512 -1131 672 -1741 -900 -46 1982 -862 827 651 607 51 127 -804 2331 1711 590 1584 205 828 9 957 1394 484 -690 751 -774 598 190 880 1033 -1026 116 199 -644 666 -809 467 1323 121 -396 -645 467 -1359 -1060 -2031 -1097 -2062 -541 -465 -660 -118 79 644 1234 1503 373 315 715 -615 -660 -389 -1255 -19 1024 516 -1068 -687 -1331 377 1142 191 -1046 -396 -301 -23 727 1273 1596 420 100 -1459 -1303 285 595 14 -78 281 1816 1687 -400 1022 162 798 524 984 -190 -7 368 -510 -1755 -844 -439 -469 165 SS 20231229T151143.7Z 8763.633145 363 1 50.60 2 68.50 153.96 96.64 307.22 0.00 1 0.00 1 0 25 2.505e-02 6.406e-03 1.914e-03 2.899e-04 4.416234e-01 1.490943e-04 5.272911e-03 -6.000000e+00 1.463382e-02 223.24 -2.00 3.51 -2.00 318.31 0.00e+00 2.512795e-04 2.900776e-05 2.288486e-04 -6.000000e+00 6.425819e-04 276.38 -2.00 20.00 -2.00 317.72 0.00e+00 2.703 0.000 302.00 328.00 3 2.0852e-01 3.9781e-04 3.4965e-02 -6.0000e+00 3.6030e-02 2.5989e-02 4.5176e-04 2.2303e-02 -6.0000e+00 3.9204e-02 -1.5305e-02 3.0785e-04 1.1152e-02 -6.0000e+00 2.3351e-02 1.0148e-03 1.6171e-04 3.2569e-03 -6.0000e+00 9.9223e-03 1.6624e-02 4.0932e-05 8.6448e-06 3.9812e-05 -6.0000e+00 7.5141e-04 8.4022e-03 0.0000e+00 11 9 0 11 4 0 99.46 22.85 0.21 0.00840 0.00871 900 170 1 5 0 56.080 26.21 20.00 22.85 17.65 35.7 1011.46 -8498 -9892 -9999 -10678 -9158 -9310 -6978 -5440 -7811 -4963 -6230 -1943 -3765 455 -2229 -957 -1505 187 269 -856 516 -31 168 -979 -218 -1092 -1292 -1073 564 510 1117 1459 -1305 -626 -291 84 -380 390 -697 -1119 -1190 -1083 -814 -576 -48 -679 -91 -356 917 730 916 953 950 875 820 966 285 752 773 1587 1456 1449 717 -298 297 554 582 1308 831 -21 -258 -780 -485 -800 -97 366 669 1191 189 -49 -672 -1458 -1468 -1251 -1305 -878 -726 -483 -593 -83 428 591 1420 1442 1307 859 798 -320 -532 -410 -568 -70 610 -132 -1054 -422 -810 -122 -76 -77 -304 -176 -14 104 666 904 822 578 -223 -716 -655 -328 -345 78 193 460 1462 1107 465 600 89 367 151 266 -292 -186 117 -467 -520 -265 -208 -221 131 -370 -471 -475 -480 -384 -400 -326 -284 -457 -297 -399 -135 -291 40 -237 -112 -191 25 38 -126 76 -5 27 -157 -37 -192 -224 -179 91 87 212 312 -311 -150 -68 20 -95 116 -234 -434 -474 -455 -352 -251 -21 -300 -40 -158 410 343 439 497 533 492 481 585 176 459 463 942 903 927 508 -217 217 407 412 938 623 -17 -226 -678 -415 -683 -80 270 482 850 141 -39 -595 -1383 -1502 -1298 -1385 -987 -823 -559 -683 -95 455 605 1421 1450 1363 968 975 -407 -722 -554 -721 -87 712 -157 -1297 -547 -1068 -169 -109 -115 -474 -274 -21 157 962 1281 1157 845 -335 -1098 -1016 -498 -524 113 279 655 1985 1526 670 914 142 591 253 451 -511 -332 215 -850 -949 -486 -375 -380 225 SS 20231229T151739.1Z 8763.637258 366 1 50.51 2 68.02 155.33 97.50 308.21 0.00 1 0.00 1 0 25 3.158e-02 6.418e-03 6.891e-03 8.827e-04 4.328656e-01 4.538435e-04 5.163234e-03 -6.000000e+00 1.844599e-02 223.24 -2.00 3.51 -2.00 318.54 0.00e+00 -4.318263e-06 9.504212e-05 2.902680e-04 -6.000000e+00 8.099542e-04 276.38 -2.00 20.00 -2.00 317.95 0.00e+00 2.648 0.000 302.00 328.00 3 2.3672e+00 1.2206e-03 3.4297e-02 -6.0000e+00 4.5417e-02 3.4546e-02 1.3953e-03 2.1942e-02 -6.0000e+00 4.9416e-02 2.2195e-04 9.8691e-04 1.0999e-02 -6.0000e+00 2.9434e-02 -6.7991e-03 5.2066e-04 3.1965e-03 -6.0000e+00 1.2508e-02 2.0263e-03 9.3422e-05 2.6593e-05 3.8976e-05 -6.0000e+00 9.4712e-04 8.0930e-03 0.0000e+00 11 9 0 11 4 0 99.99 22.85 0.15 0.00809 0.00880 187 35 1 5 0 270.050 26.21 20.00 22.85 18.31 35.9 1016.13 -9914 2398 -19527 -8871 -6711 -12089 4242 -3036 -7360 -11690 -7768 -7487 -7592 3104 -2064 -4214 8071 2909 1796 37 415 1371 -2777 -49 -1186 2663 -1314 -337 -1768 780 1724 593 -1996 -1530 1400 -785 -568 159 -697 -1922 -828 -1894 -1439 -909 224 -1029 -106 -257 993 325 510 369 1350 1389 786 1179 240 733 1037 1361 1613 1332 324 -128 -197 340 420 1431 959 -142 -275 -471 -715 -267 -142 547 978 1240 380 -57 -371 -1426 -1330 -1108 -1173 -1059 -669 -515 -624 -142 498 716 1601 1550 1464 895 757 -318 -413 -449 -515 -6 728 -55 -941 -532 -862 -121 -6 -7 -371 -264 -60 -127 534 807 961 486 -271 -822 -361 -348 -290 8 159 340 1388 969 382 549 197 361 58 262 -268 -152 167 -346 -469 -284 -163 -208 151 -370 86 -852 -333 -236 -457 153 -132 -360 -625 -422 -453 -540 236 -189 -432 796 318 208 4 51 171 -378 -7 -181 403 -203 -50 -263 119 288 111 -410 -317 277 -162 -130 42 -216 -675 -311 -750 -582 -369 91 -422 -43 -105 410 140 234 180 695 749 439 676 140 425 591 776 943 831 218 -91 -141 234 283 970 695 -112 -230 -404 -609 -219 -110 395 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