File name: Pandora206s1_BuffaloNY_20221101_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T043338.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20221101_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20221101 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20221101T135855.1Z 8340.582582 99 1 28.01 2 70.75 133.57 144.99 64.71 0.00 1 0.00 1 0 17 3.028e-01 2.943e-02 2.182e-01 2.195e-02 3.500333e-01 1.084544e-02 4.240682e-03 -6.000000e+00 1.681057e-01 223.99 -2.00 3.55 -2.00 318.94 0.00e+00 6.184500e-03 2.529328e-03 7.348383e-04 -6.000000e+00 7.856361e-03 279.52 -2.00 20.00 -2.00 318.30 0.00e+00 2.998 0.000 302.00 328.00 3 7.1253e+00 2.9809e-02 3.4921e-02 -6.0000e+00 4.1495e-01 1.9407e-01 3.4554e-02 2.1482e-02 -6.0000e+00 4.5328e-01 1.5695e-02 2.5285e-02 9.5418e-03 -6.0000e+00 2.6894e-01 -1.9266e-02 1.3399e-02 6.7460e-03 -6.0000e+00 1.1506e-01 1.3335e-05 -6.6148e-05 6.1775e-04 4.9896e-05 -6.0000e+00 7.7368e-03 -3.4092e-04 2.3425e-04 12 8 8 10 0 0 94.08 18.07 1.58 -0.00034 -0.00084 7 7 2 8 0 4000.000 15.00 18.07 21.77 21.58 21.48 13.5 978.42 -32537 183719 900000 -8187 5495 900000 14040 153521 -29355 900000 -34055 88112 -26595 10068 -24065 33953 64297 141 3865 -11196 156477 -31635 93158 -11302 32572 -24886 22823 17779 30034 4727 -15685 -95 9402 45022 17881 42182 -7751 32998 21585 4818 -4186 -3348 33601 -14146 11053 -3776 -11845 -10668 5659 -4184 5158 4697 11379 -482 9124 -3199 4778 7705 -2262 -9689 -7595 -192 -13111 5990 -1774 1886 -4137 3634 6110 -1147 1540 -1300 424 4670 4276 -1288 -763 1400 -1773 -4511 -257 1107 -1208 328 1323 131 2624 1125 -2856 71 -1635 1482 2071 -2140 -2354 -703 -56 1399 728 2492 1092 -655 -940 -2303 3287 -4840 2117 1628 1596 -3063 2566 2115 -2411 -918 -3047 293 -1305 -425 -2691 -43 1584 1498 561 2067 -1454 -645 -652 3997 2018 -781 -684 -793 1899 -339 -113 -278 205 -84 344 -2472 2314 -530 -180 -1624 3930 900000 -372 191 900000 465 3284 -1746 900000 -2185 1885 -2027 646 -2527 2360 3524 15 423 -1488 4351 -5127 4693 -1590 3135 -4275 2533 1973 2811 591 -2705 -16 1565 5477 2618 4890 -1586 5184 4560 1368 -1416 -1174 8782 -5896 3611 -1454 -4922 -4350 2016 -1673 2024 1939 4800 -236 4164 -1669 2412 3729 -1180 -5263 -4346 -111 -9272 3801 -1218 1185 -2611 2089 3684 -827 1177 -1057 335 3465 2927 -830 -446 777 -1096 -3305 -204 963 -1110 319 1325 142 2899 1297 -3425 79 -1745 1402 1797 -1909 -2282 -752 -67 1791 993 3236 1381 -766 -1025 -2648 3898 -6504 2778 2263 2278 -4946 4171 3497 -4009 -1401 -4494 394 -1798 -607 -4222 -67 2524 2327 857 2957 -2041 -857 -850 5097 2777 -1192 -1104 -1322 3145 -598 -205 -530 395 -166 678 -4804 4231 -954 -315 SS 20221101T190814.9Z 8340.797395 225 1 29.77 2 64.81 214.93 92.25 117.99 0.00 1 0.00 1 0 17 8.251e-02 1.320e-02 6.481e-02 1.115e-02 2.869323e-01 5.440870e-03 3.455812e-03 -6.000000e+00 4.546285e-02 223.97 -2.00 3.55 -2.00 318.30 0.00e+00 4.475493e-05 1.021247e-03 2.151549e-04 -6.000000e+00 2.013394e-03 279.50 -2.00 20.00 -2.00 317.60 0.00e+00 2.334 0.000 302.00 328.00 3 6.5376e+00 1.4618e-02 2.7041e-02 -6.0000e+00 1.1215e-01 1.0041e-01 1.6703e-02 1.4726e-02 -6.0000e+00 1.2243e-01 4.0658e-02 1.0972e-02 7.3292e-03 -6.0000e+00 7.2993e-02 -3.4201e-02 5.7159e-03 2.1045e-03 -6.0000e+00 3.1158e-02 5.3135e-05 -2.8497e-05 3.1575e-04 2.1695e-05 -6.0000e+00 2.1027e-03 -6.4764e-04 1.4300e-04 12 8 8 10 0 0 99.97 18.09 -0.37 -0.00065 -0.00086 32 32 1 8 0 930.300 15.00 18.09 24.69 21.58 21.48 13.8 998.51 -9057 21392 -14277 230 48706 12301 33356 6389 24231 5884 58404 -4217 5637 5227 -4836 2696 -2658 974 1267 12037 3332 3992 949 3861 -1679 1909 -1763 672 -5833 3531 -1604 1462 2626 4423 -4810 -4107 -918 1284 4495 -3304 -3276 -776 2744 -5292 -1044 -1148 -5203 -1464 -857 -10283 -1207 2688 -156 765 1677 2477 466 -299 192 -1180 -954 -307 2845 2279 1633 824 1686 -990 1542 -1380 1316 685 2171 2564 -2615 1045 94 2029 -2584 630 -2446 2116 -2384 50 -2576 876 337 551 143 -1427 790 31 1743 -47 1858 -184 1734 328 1712 -331 432 -1509 -972 -1263 -996 -1527 -944 995 -401 -108 294 315 -1171 1319 -2336 -227 -639 255 -822 -21 735 441 1100 138 1158 -508 144 126 2438 -1187 -799 -894 437 15 -613 571 251 1100 -496 564 -100 264 -1287 -611 1212 -1154 15 1835 627 1542 422 1509 452 2791 -364 507 546 -645 371 -403 149 202 1794 552 647 164 696 -337 386 -371 129 -1102 608 -315 301 588 1005 -1097 -916 -221 352 1447 -1355 -1462 -352 1241 -2607 -490 -541 -2503 -663 -380 -5055 -580 1337 -85 435 973 1452 285 -182 114 -702 -586 -202 1984 1715 1222 566 1077 -637 1039 -1097 1111 603 1867 2100 -2080 738 61 1231 -1748 470 -2044 1871 -2341 50 -2842 999 405 680 177 -1709 847 32 1605 -43 1794 -194 2006 429 2320 -443 535 -1804 -1084 -1483 -1233 -1986 -1277 1385 -596 -171 490 530 -1910 1945 -3267 -303 -862 358 -1210 -32 1142 673 1684 203 1595 -679 181 162 3311 -1786 -1261 -1451 712 26 -1085 1045 471 2094 -960 1041 -186 469 -2271 SS 20221101T191616.6Z 8340.802970 230 1 46.25 2 65.67 216.85 90.99 119.28 0.00 1 0.00 1 0 25 1.135e-02 5.313e-03 9.201e-04 2.482e-04 2.832512e-01 1.212341e-04 3.443286e-03 -6.000000e+00 6.248845e-03 223.97 -2.00 3.55 -2.00 317.66 0.00e+00 4.927559e-04 1.905087e-05 7.402546e-05 -6.000000e+00 2.768203e-04 279.50 -2.00 20.00 -2.00 316.97 0.00e+00 2.410 0.000 302.00 328.00 3 7.4610e-01 3.2021e-04 2.7546e-02 -6.0000e+00 1.5415e-02 6.6231e-03 3.6267e-04 1.4524e-02 -6.0000e+00 1.6834e-02 -6.3724e-03 2.2476e-04 7.1964e-03 -6.0000e+00 1.0037e-02 -5.1799e-04 1.1412e-04 2.0854e-03 -6.0000e+00 4.2796e-03 1.7360e-02 -5.4600e-05 6.8808e-06 2.1491e-05 -6.0000e+00 2.8948e-04 3.0745e-03 -1.2328e-05 10 0 0 10 0 0 98.60 18.09 0.29 0.00307 0.00266 1784 551 1 8 0 25.500 15.01 18.09 25.47 21.58 21.48 13.9 1003.49 -2538 -1398 -1569 -4090 -5425 -4023 -2967 -1439 -680 -1917 -3252 -2932 -1543 -1412 -35 -248 -199 88 647 805 646 55 657 449 -121 487 -275 -760 -1321 262 680 1165 1327 -608 -2616 -2200 -1819 -1242 -231 -186 -772 -552 -443 -501 35 -263 -288 -312 -662 138 900 784 1003 1106 765 1077 827 648 499 567 1006 1184 1650 1501 128 -68 -468 -439 552 473 487 241 320 351 137 -109 -549 -791 -327 -776 -936 -1089 -1980 -1490 -1109 -687 -330 23 381 262 494 287 131 405 448 147 582 593 12 -260 -299 -668 -590 -62 -779 -816 -688 -562 -186 184 345 212 160 40 -79 211 80 294 84 10 -211 76 275 293 681 382 649 911 544 394 198 38 -232 65 37 -131 57 99 -176 -202 -200 -393 -562 -228 -136 -156 -385 -453 -324 -255 -137 -72 -216 -362 -339 -203 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