File name: Pandora187s1_PittsburghPA_20240515_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240516T052851.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20240515_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20240515 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20240515T104850.0Z 8901.450579 107 1 29.83 2 82.77 71.10 122.11 346.05 0.00 1 0.00 1 0 25 6.555e-01 3.699e-02 4.942e-01 3.156e-02 9.438088e-01 1.983252e-02 1.057499e-02 -6.000000e+00 4.009754e-01 231.02 -2.00 3.49 -2.00 322.20 0.00e+00 6.262095e-03 1.098385e-02 2.279685e-03 -6.000000e+00 1.923991e-02 282.64 -2.00 20.00 -2.00 321.74 0.00e+00 7.325 0.007 302.00 328.00 3 1.6224e+00 7.6575e-02 9.1175e-02 -6.0000e+00 1.0093e+00 1.2351e+00 9.6626e-02 6.2342e-02 -6.0000e+00 1.0978e+00 -1.5567e+00 7.6916e-02 2.6745e-02 -6.0000e+00 6.4624e-01 6.1261e-01 3.6957e-02 1.2802e-02 -6.0000e+00 2.7786e-01 2.8289e-05 -2.3703e-03 9.1145e-04 1.7085e-04 -6.0000e+00 1.9974e-02 -2.2927e-02 0.0000e+00 12 9 9 12 1 1 -474.70 18.85 0.59 -0.02293 -0.04074 10 5 1 5 0 2711.640 22.19 15.00 18.85 23.08 30.6 1011.15 900000 900000 14441 900000 -154756 -170486 900000 39089 900000 -134168 -12652 -1968 900000 900000 -13125 172283 900000 145835 188033 900000 900000 -102241 -49725 21395 900000 -37766 165512 900000 224286 900000 -66762 16261 -40941 900000 986 900000 900000 -16983 59701 91503 -3570 11339 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1220 5215 -851 2157 1888 4786 -474 665 -765 6137 110 -2602 -5266 -4072 -10743 -357 3632 -651 -1365 1148 1362 -6442 -2609 -5602 23 -1147 -1946 -6155 3324 -5205 -2430 342 -2077 1638 1491 5225 3983 3684 6421 -1305 431 -939 837 2675 4824 89 1024 3390 1054 583 3257 -1078 -730 370 -2779 -2390 -2484 -29 -639 SS 20240515T113026.1Z 8901.479469 127 1 19.99 2 75.15 77.43 123.35 357.35 0.00 1 0.00 1 0 25 2.697e-01 1.323e-02 2.931e-01 1.291e-02 5.720528e-01 7.157089e-03 6.575176e-03 -6.000000e+00 1.632346e-01 231.02 -2.00 3.49 -2.00 320.49 0.00e+00 4.812687e-03 2.753608e-03 4.499252e-04 -6.000000e+00 8.206342e-03 282.65 -2.00 20.00 -2.00 319.90 0.00e+00 3.825 0.001 302.00 328.00 3 4.0308e+00 2.1970e-02 4.8462e-02 -6.0000e+00 4.0972e-01 4.6614e-02 2.8245e-02 3.1561e-02 -6.0000e+00 4.4526e-01 1.5487e-02 2.7359e-02 1.6480e-02 -6.0000e+00 2.5833e-01 -1.7995e-02 1.3680e-02 7.8693e-03 -6.0000e+00 1.1262e-01 1.1119e-04 -1.1067e-03 3.8270e-04 7.0113e-05 -6.0000e+00 7.8979e-03 -2.6562e-02 0.0000e+00 12 9 9 12 33 1 98.66 18.85 0.76 -0.02656 -0.03488 4 3 1 5 0 3996.020 22.19 15.00 18.85 25.28 30.3 1025.32 900000 900000 900000 900000 -14322 900000 900000 900000 -53196 900000 -17982 900000 -44297 251622 -55137 -7239 27255 37597 -2576 51905 900000 -54240 -31174 -26021 18736 -23486 6392 -65257 13157 -10483 2027 -1513 -18801 23177 1748 26319 31540 -14310 -9419 10154 -14262 -7371 4347 12807 2217 9387 -1988 1074 -8295 1047 -3812 -8583 1140 1358 9127 183 6924 456 5528 -7306 5865 355 8753 -2895 6632 -2424 748 951 -4176 2657 1282 2433 642 2707 -2883 1083 -3985 893 -3610 1543 -2845 776 -1035 -679 650 -1512 1116 -971 2195 1217 2148 349 3107 -303 377 -1569 442 -2146 481 -729 255 -1554 1111 -1321 -2565 -1496 68 -1100 -184 684 -385 2397 -429 275 -16 -582 -3 -474 1343 -340 -432 546 -270 -64 -364 -881 1049 776 1187 -128 1647 656 81 527 -320 -1133 46 -219 -536 -282 -228 524 900000 900000 900000 900000 -180 900000 900000 900000 -668 900000 -226 900000 -556 3160 -1246 -121 365 504 -56 695 900000 -2180 -1044 -893 471 -948 195 -3715 366 -404 82 -75 -1265 1081 97 1157 1471 -1258 -963 1011 -2021 -1045 577 1608 316 1280 -310 168 -1481 182 -773 -2025 266 341 2227 51 1826 127 1433 -2156 1599 114 2913 -1113 2534 -979 288 380 -1829 1239 658 1271 334 1294 -1325 462 -1694 373 -1788 796 -1768 522 -762 -528 534 -1350 1014 -918 1985 1054 1709 264 2212 -234 326 -1589 472 -2633 602 -897 286 -1603 1132 -1438 -2841 -1722 82 -1430 -260 995 -610 3770 -677 433 -23 -845 -5 -744 2060 -543 -677 868 -417 -94 -517 -1203 1392 1114 1897 -215 2907 1224 150 1036 -673 -2488 102 -489 -1178 -589 -449 1033 SS 20240515T114111.2Z 8901.486935 130 1 46.02 2 73.15 79.06 123.42 0.31 0.00 1 0.00 1 0 25 1.120e-01 5.917e-03 4.092e-02 1.716e-03 5.055175e-01 9.026917e-04 5.863796e-03 -6.000000e+00 6.588749e-02 231.02 -2.00 3.49 -2.00 319.99 0.00e+00 1.666726e-03 2.944247e-04 6.053414e-04 -6.000000e+00 2.863745e-03 282.65 -2.00 20.00 -2.00 319.35 0.00e+00 3.397 0.001 302.00 328.00 3 1.6696e+00 2.6552e-03 4.2785e-02 -6.0000e+00 1.6499e-01 2.8569e-02 3.2279e-03 2.7387e-02 -6.0000e+00 1.7828e-01 -2.0016e-02 2.8079e-03 1.3370e-02 -6.0000e+00 1.0589e-01 -1.3097e-03 1.4460e-03 4.4298e-03 -6.0000e+00 4.4989e-02 1.9684e-03 -9.3008e-04 4.9782e-05 4.3738e-05 -6.0000e+00 3.1236e-03 -2.4351e-02 0.0000e+00 10 0 0 10 0 0 98.86 18.85 0.33 -0.02435 -0.03134 170 52 1 5 0 270.610 22.19 15.00 18.85 26.36 30.4 1033.51 -30915 -27002 -29986 -31077 -45858 -36750 -52090 -23325 -40872 -20666 -43194 -24385 -29160 -9845 -15939 -3318 -7500 -1605 -5046 -3265 -1165 -7944 -5916 -5518 -3331 -10139 -4953 -13195 -7201 -7849 -5114 -4899 2944 -3764 -6622 -5967 -3980 -3486 -2184 217 -1982 -61 -1004 1017 172 1085 -259 360 -1133 950 1081 1127 1591 1179 1766 1816 1634 721 1234 312 1745 1751 2721 1519 746 -285 28 -383 768 696 759 878 623 1156 50 133 -1535 -1083 -2542 -1000 -1129 -1156 -2277 -1239 -718 -258 413 693 974 1053 696 -325 -183 -544 -280 -462 621 545 99 -183 -509 -805 238 -149 -1270 -908 -694 -246 391 347 52 270 301 241 65 167 -206 -186 -396 -546 -280 65 376 347 225 -557 759 852 569 527 381 162 201 45 -94 -359 143 -140 -250 47 -195 -375 -310 -300 -365 -369 -579 -419 -753 -316 -678 -332 -903 -469 -717 -247 -517 -110 -287 -63 -220 -147 -53 -388 -298 -300 -190 -651 -305 -848 -425 -496 -362 -398 250 -356 -616 -557 -408 -423 -320 37 -379 -12 -211 213 37 233 -57 80 -262 228 285 327 497 398 620 660 607 268 446 113 657 727 1250 698 348 -141 14 -191 422 395 467 556 388 673 27 71 -779 -557 -1490 -611 -791 -904 -1931 -1101 -681 -259 431 735 1016 1041 639 -281 -151 -470 -269 -508 705 689 131 -236 -605 -952 267 -176 -1496 -1120 -903 -340 584 525 84 442 478 390 98 247 -312 -297 -623 -884 -446 108 603 532 331 -790 1050 1261 936 875 674 299 387 92 -189 -754 305 -303 -531 96 -403 -745 SS 20240515T114818.6Z 8901.491882 134 1 37.96 2 71.82 80.14 123.42 2.27 0.00 1 0.00 1 0 25 8.873e-02 6.507e-03 5.460e-02 3.079e-03 4.725351e-01 1.617019e-03 5.554011e-03 -6.000000e+00 5.217882e-02 231.02 -2.00 3.49 -2.00 319.67 0.00e+00 1.504631e-03 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