File name: Pandora55s1_QueensNY_20230625_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114838.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230625_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230625 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230625T111923.7Z 8576.471802 92 1 50.81 2 71.09 75.01 133.12 18.27 0.00 1 0.00 1 0 25 2.170e-01 1.420e-02 5.765e-02 3.040e-03 4.393191e-01 1.618803e-03 5.069317e-03 -6.000000e+00 1.321467e-01 232.90 -2.00 3.51 -2.00 319.11 0.00e+00 5.839996e-04 4.075546e-04 1.726236e-04 -6.000000e+00 5.815633e-03 287.66 -2.00 20.00 -2.00 318.32 0.00e+00 3.048 0.000 302.00 328.00 3 4.3592e+00 4.5420e-03 3.8466e-02 -6.0000e+00 3.3196e-01 2.6856e-02 5.2808e-03 2.3253e-02 -6.0000e+00 3.5811e-01 8.6156e-03 3.8513e-03 1.1288e-02 -6.0000e+00 2.1247e-01 -1.1103e-02 1.9993e-03 3.1750e-03 -6.0000e+00 8.8466e-02 1.8372e-04 -3.4517e-04 9.3415e-05 3.6725e-05 -6.0000e+00 6.5828e-03 1.0906e-03 0.0000e+00 12 9 8 11 32 0 -38.41 22.64 0.47 0.00109 -0.00150 14 3 1 5 0 3628.700 25.90 20.02 22.64 31.47 35.4 1100.00 -85810 -42888 4685 -16370 54454 128208 1149 900000 40218 14989 -40204 2712 -35433 2548 133079 867 -22897 -20159 90346 30883 -14947 3386 18112 -27948 11212 -3695 -7963 2480 -6763 -7242 -1586 13317 3400 -9479 3794 -4180 -5292 -5819 3002 5068 -5394 6416 -5516 -3716 294 -514 -2978 9087 5298 6647 313 -991 -4250 9125 6388 2746 733 3811 3782 2294 2333 -2008 1909 543 2408 -4854 3210 -844 2508 568 -1915 987 -2089 -1382 3165 -837 1338 -27 -307 -852 -2015 2359 -1271 -711 -2502 -1973 -2266 -639 -1339 -154 97 -643 819 965 1085 1162 89 143 -187 85 -315 -711 -426 1804 651 -1863 -491 -902 150 1927 560 -971 370 -282 -925 -252 915 1472 616 -578 -1297 -341 1267 1511 139 -364 -28 990 -188 -329 1047 -726 229 552 473 -177 782 149 -2 -983 -361 -521 106 -368 -3649 -1410 106 -451 729 808 25 900000 770 396 -1873 90 -1893 113 2055 54 -1962 -1813 3079 1949 -1498 293 1395 -3490 1045 -420 -967 270 -777 -834 -183 1496 471 -1582 568 -661 -873 -1084 612 1190 -1570 1828 -1826 -1246 97 -172 -1018 2814 1705 2166 112 -387 -1835 3757 2838 1300 365 1868 1854 1124 1147 -1061 1052 326 1500 -3220 1930 -512 1508 375 -1405 755 -1674 -1092 2330 -598 873 -17 -192 -572 -1519 1892 -1133 -667 -2482 -2041 -2460 -710 -1524 -173 106 -673 802 909 1029 1166 98 170 -239 114 -419 -911 -515 2075 764 -2323 -631 -1201 207 2740 848 -1547 596 -452 -1442 -375 1310 2098 906 -890 -2066 -546 1985 2320 210 -537 -40 1375 -266 -488 1633 -1195 385 950 838 -327 1480 289 -4 -1942 -702 -988 194 -668 SS 20230625T112526.4Z 8576.476001 95 1 49.09 2 69.99 75.89 132.78 20.19 0.00 1 0.00 1 0 25 1.526e-01 1.458e-02 2.487e-02 2.733e-03 4.161341e-01 1.448598e-03 4.841026e-03 -6.000000e+00 9.226783e-02 232.90 -2.00 3.51 -2.00 318.80 0.00e+00 2.418753e-03 3.262239e-04 1.515200e-04 -6.000000e+00 4.137462e-03 287.66 -2.00 20.00 -2.00 318.00 0.00e+00 2.890 0.000 302.00 328.00 3 4.3195e+00 4.0040e-03 3.6472e-02 -6.0000e+00 2.3154e-01 5.9886e-02 4.5985e-03 2.2133e-02 -6.0000e+00 2.4964e-01 -3.8809e-02 3.1588e-03 1.0800e-02 -6.0000e+00 1.4877e-01 1.3099e-02 1.6297e-03 3.7608e-03 -6.0000e+00 6.2418e-02 2.2692e-04 -5.0909e-04 8.3444e-05 4.0268e-05 -6.0000e+00 4.5617e-03 9.3553e-04 0.0000e+00 12 9 8 11 32 0 -32.32 22.63 0.45 0.00094 -0.00289 15 3 1 5 0 3272.390 25.90 20.01 22.63 32.29 35.3 1100.00 -71728 -49503 900000 -63713 11041 5461 -17307 82137 9416 -12778 -29501 -35286 -34277 -13083 34913 2714 -26033 59716 29456 26180 19898 5863 2435 17663 -4609 -9414 4523 -7847 -3216 5400 -2749 2362 1635 -12558 -14833 13095 -6036 2427 1877 4976 -6465 2926 348 -818 -2168 8217 -4287 6638 2928 4376 729 -1514 -2670 6189 6313 560 5549 176 3080 44 996 4594 705 -1691 1353 -3535 1862 -411 786 2147 -1344 771 200 -1696 2009 -1376 694 3100 -204 -2342 -1120 671 -714 -841 -2551 -1228 -2329 -419 -1358 16 -856 -434 253 686 -232 483 -1002 37 -261 -102 -264 -777 91 1234 729 -1067 -658 -988 333 1544 831 -633 158 200 -642 256 105 1303 2 -152 -733 -21 836 1236 181 -181 -53 727 584 -432 1242 157 982 212 582 -550 395 -6 -291 -664 -357 -431 -328 -483 -4105 -2642 900000 -4143 336 166 -664 1354 343 -616 -1725 -2282 -2472 -919 1851 224 -3082 3421 2379 2289 1906 650 282 1851 -629 -1412 609 -1164 -444 685 -396 361 281 -2613 -3177 2131 -1198 499 453 1361 -2187 984 125 -305 -827 2908 -1691 2393 1092 1642 293 -662 -1263 2879 3075 295 2881 96 1636 24 536 2490 423 -1109 911 -2476 1209 -264 507 1470 -1029 616 164 -1401 1558 -1035 476 1983 -134 -1658 -868 562 -651 -807 -2589 -1289 -2575 -473 -1572 18 -959 -463 254 661 -226 493 -1116 45 -336 -136 -352 -1001 110 1436 862 -1330 -852 -1322 459 2198 1249 -1000 253 317 -991 377 150 1841 3 -231 -1152 -33 1303 1885 272 -265 -76 1004 815 -633 1904 252 1618 358 1009 -993 731 -11 -558 -1278 -677 -798 -591 -859 SS 20230625T113124.9Z 8576.480149 98 1 51.02 2 68.89 76.77 132.41 22.07 0.00 1 0.00 1 0 17 3.011e-01 1.191e-02 8.871e-02 2.438e-03 4.009275e-01 1.287769e-03 4.694869e-03 -6.000000e+00 1.820463e-01 232.90 -2.00 3.51 -2.00 318.57 0.00e+00 1.216140e-03 2.728367e-04 2.461401e-04 -6.000000e+00 8.067264e-03 287.66 -2.00 20.00 -2.00 317.76 0.00e+00 2.749 0.000 302.00 328.00 3 4.3083e+00 3.5373e-03 3.4906e-02 -6.0000e+00 4.5682e-01 5.1671e-02 4.0383e-03 2.1378e-02 -6.0000e+00 4.9255e-01 -1.8379e-02 2.7071e-03 1.0267e-02 -6.0000e+00 2.9336e-01 2.5633e-03 1.3949e-03 3.1010e-03 -6.0000e+00 1.2267e-01 2.6854e-04 -4.8552e-04 7.4496e-05 3.4992e-05 -6.0000e+00 8.9953e-03 1.0405e-03 0.0000e+00 12 9 8 11 32 0 5.57 22.63 0.47 0.00104 -0.00261 17 3 1 5 0 3000.260 25.90 20.02 22.63 32.72 35.2 1100.00 -54427 -47603 306562 -47849 21966 23579 -3776 130265 -4045 -6693 -26156 -15270 4259 -5679 24139 -2441 -15408 5589 21410 15610 19246 4610 3696 -14990 -175 -6282 28689 -4049 -6595 -7556 -3032 2295 2027 -8462 -2361 3009 -4657 -7902 1483 3692 -3268 1853 -4364 -1834 -726 6191 229 4852 2174 2261 -224 -606 -1435 5103 2911 1394 3804 1303 989 409 665 3684 865 -1110 1693 -3201 2184 -297 993 841 -1372 749 617 -1486 1355 -1066 622 1410 -467 -1685 -1166 -912 -1155 -864 -2394 -766 -2267 -460 -493 0 -3 -103 0 890 812 773 -169 524 -434 -4 -301 -410 -175 1194 245 -469 -369 -963 121 1130 555 -626 29 -102 -467 -163 611 872 535 -219 -1220 -210 343 1080 283 -243 -167 683 386 -74 1020 568 638 272 491 -91 375 77 -396 -724 -268 -460 -319 -321 -3055 -2881 729 -3076 690 692 -147 1576 -195 -356 -1737 -958 249 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