File name: Pandora55s1_QueensNY_20211222_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111038.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211222_L1_smca1c19d20211111p1-8.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: 20211222 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211222T140929.0Z 8026.589919 336 1 50.74 2 74.69 141.26 81.85 292.40 0.00 1 0.00 1 0 25 1.764e-01 1.251e-02 4.878e-02 2.806e-03 4.518380e-01 1.450390e-03 5.353162e-03 -6.000000e+00 1.032917e-01 223.02 -2.00 3.51 -2.00 319.37 0.00e+00 7.531522e-04 3.885761e-04 6.608983e-04 -6.000000e+00 4.575011e-03 276.81 -2.00 20.00 -2.00 318.78 0.00e+00 3.717 0.001 302.00 328.00 3 3.3784e+00 4.0245e-03 4.3487e-02 -6.0000e+00 2.5446e-01 7.1383e-02 4.7218e-03 2.3517e-02 -6.0000e+00 2.7728e-01 -1.6781e-02 3.7392e-03 1.1652e-02 -6.0000e+00 1.6472e-01 -2.3087e-03 1.9613e-03 3.4468e-03 -6.0000e+00 6.9307e-02 2.6089e-04 -1.2564e-03 8.6340e-05 4.2381e-05 -6.0000e+00 5.3466e-03 -5.1691e-03 -1.7967e-05 12 8 8 10 0 0 99.98 22.68 0.41 -0.00517 -0.01461 35 7 1 5 0 1449.350 25.58 20.01 22.68 11.50 29.9 977.98 -29322 59989 900000 -72231 11214 101708 -45426 900000 18383 -19002 -63042 -1011 -49175 -37276 60995 -6643 -27537 6663 28029 28714 26153 -3224 16197 -13653 1924 -12825 41831 202 -13899 8788 -7887 13314 -2624 -9350 -946 30555 -9499 -2100 7099 4279 -5267 1154 -4480 -3518 2160 5342 -4357 3415 4106 5508 -2527 -192 -2931 5499 4847 1423 3562 716 1958 541 525 4068 730 -1943 2029 -2892 1994 -1313 2826 504 -1336 -802 1583 -1987 2064 163 1378 3537 208 127 -2092 1069 -1135 -804 -3183 -996 -1796 -821 -714 -386 -345 -193 948 525 1823 1031 -105 558 29 -1068 -534 -181 -157 2070 449 -571 -635 -366 206 971 49 -1448 90 -172 -615 375 564 1558 173 -213 -877 -955 243 824 280 214 -84 1107 17 -85 73 651 945 399 532 -342 351 237 -253 -918 -276 -488 -139 -27 -673 685 900000 -2992 202 748 -1386 900000 389 -615 -3221 -31 -2696 -2183 1708 -401 -2227 424 1556 1667 1601 -264 1132 -1333 174 -1411 2838 20 -1511 777 -870 1358 -348 -1407 -133 3150 -1472 -344 1266 919 -1387 311 -1330 -1065 628 1528 -1359 1003 1212 1647 -855 -68 -1155 2149 2005 629 1595 332 892 246 240 1884 377 -1108 1180 -1760 1129 -747 1595 316 -928 -589 1167 -1489 1431 108 835 2000 122 81 -1512 833 -976 -729 -3073 -992 -1884 -886 -784 -420 -364 -193 890 477 1666 1013 -114 656 37 -1421 -703 -227 -186 2320 519 -694 -807 -480 280 1385 74 -2327 147 -277 -958 556 811 2230 257 -329 -1402 -1537 382 1267 423 314 -120 1532 25 -128 116 1083 1616 702 965 -649 684 470 -507 -1857 -547 -943 -259 -49 SS 20211222T143408.2Z 8026.607040 346 1 47.85 2 71.93 146.41 86.00 296.03 0.00 1 0.00 1 0 25 1.916e-02 6.181e-03 4.401e-03 6.846e-04 3.930795e-01 3.500029e-04 4.716163e-03 -6.000000e+00 1.114304e-02 223.02 -2.00 3.51 -2.00 318.37 0.00e+00 4.194893e-04 6.880680e-05 2.269631e-04 -6.000000e+00 4.907681e-04 276.80 -2.00 20.00 -2.00 317.76 0.00e+00 3.182 0.001 302.00 328.00 3 1.3292e+00 9.3700e-04 3.7287e-02 -6.0000e+00 2.7415e-02 4.7284e-02 1.0655e-03 2.0005e-02 -6.0000e+00 2.9854e-02 -1.6295e-02 7.1838e-04 9.9545e-03 -6.0000e+00 1.7802e-02 -9.0659e-04 3.7445e-04 2.8920e-03 -6.0000e+00 7.4954e-03 3.6872e-03 -7.1463e-04 2.0890e-05 3.5868e-05 -6.0000e+00 5.7137e-04 -4.8755e-03 5.2889e-05 10 0 0 10 0 0 99.94 22.68 0.21 -0.00488 -0.01025 302 57 1 5 0 158.410 25.58 20.02 22.68 11.11 29.9 976.11 -6343 -3238 399 -13176 -5243 -4207 -2147 -364 -756 -7581 -6763 -2245 -4190 -1153 1414 -1074 -3017 700 -225 758 -548 1320 670 -497 600 -1029 343 -2005 -64 -915 2149 1751 1565 -2359 -785 1536 -299 421 1050 -152 -1457 -775 -1676 -983 -1126 -214 -1478 -279 -361 670 890 649 1071 957 1295 472 1006 204 725 696 1468 1429 1245 355 -558 7 256 640 1356 978 126 -227 -603 -693 -584 -284 489 828 1362 126 32 -845 -1397 -1260 -1132 -956 -827 -497 -499 -484 43 423 593 1521 1452 1384 871 710 -374 -579 -432 -586 77 793 -65 -857 -445 -793 -174 -85 -109 -462 -300 -169 -84 781 888 934 456 -231 -643 -445 -248 -177 200 32 694 1381 826 173 348 -78 285 168 225 -334 -107 145 -425 -419 -271 -159 -129 189 -277 -157 20 -729 -249 -188 -98 -18 -43 -494 -454 -152 -327 -96 136 -121 -380 91 -31 109 -82 197 103 -81 97 -180 60 -350 -11 -161 386 329 328 -549 -179 335 -69 110 306 -53 -552 -316 -723 -432 -501 -95 -663 -123 -160 299 415 310 552 528 749 271 591 122 427 404 851 871 829 247 -414 5 178 449 921 734 102 -197 -516 -611 -488 -228 353 586 960 93 26 -739 -1354 -1251 -1190 -1025 -943 -569 -583 -559 49 450 606 1524 1472 1453 986 867 -489 -769 -565 -746 93 949 -77 -1096 -578 -1045 -241 -121 -163 -731 -467 -266 -125 1111 1249 1312 647 -350 -990 -693 -378 -271 293 47 961 1906 1167 255 537 -125 472 278 390 -596 -193 269 -783 -773 -503 -283 -227 324 SS 20211222T143958.5Z 8026.611093 349 1 48.75 2 71.33 147.67 86.97 296.91 0.00 1 0.00 1 0 25 2.170e-02 6.259e-03 5.891e-03 9.308e-04 3.829856e-01 4.748383e-04 4.608334e-03 -6.000000e+00 1.261176e-02 223.02 -2.00 3.51 -2.00 318.38 0.00e+00 2.522904e-04 9.310404e-05 2.383349e-04 -6.000000e+00 5.555804e-04 276.80 -2.00 20.00 -2.00 317.76 0.00e+00 3.086 0.000 302.00 328.00 3 2.0238e+00 1.2712e-03 3.6219e-02 -6.0000e+00 3.1028e-02 4.7566e-02 1.4471e-03 1.9505e-02 -6.0000e+00 3.3793e-02 -1.4862e-02 9.7472e-04 9.7148e-03 -6.0000e+00 2.0150e-02 -2.2209e-03 5.0685e-04 2.7950e-03 -6.0000e+00 8.4811e-03 2.0454e-03 -1.0577e-03 2.8489e-05 3.5055e-05 -6.0000e+00 6.4697e-04 -3.8488e-03 -6.5294e-06 10 0 0 10 0 0 98.86 22.69 0.17 -0.00385 -0.01180 194 37 1 5 0 251.250 25.58 19.99 22.69 11.28 30.0 977.47 -5886 -1520 4598 -15060 -1563 -4976 -4586 392 1996 -9467 -6692 -2072 -4286 -2885 3872 38 -4146 -1022 130 1738 -713 1610 907 -768 -407 -1458 1713 -1858 -383 -1742 1957 1680 2428 -2990 -758 1781 -102 207 879 -72 -1902 -402 -2191 -1111 -1136 27 -1512 -208 -76 643 1145 485 591 1231 1476 639 1215 73 820 696 1272 1685 1304 268 -507 -129 36 638 1115 1205 168 -259 -451 -758 -390 -147 522 968 1478 139 -66 -748 -1490 -1447 -1311 -1015 -809 -424 -465 -412 -228 488 518 1544 1499 1255 798 724 -302 -615 -491 -583 199 772 -17 -764 -422 -727 -63 87 -87 -520 -288 -63 -71 723 816 925 289 -129 -830 -453 -226 -211 218 69 528 1271 930 172 327 15 370 217 199 -284 -162 173 -394 -341 -178 -133 -201 38 -265 -74 223 -858 -74 -233 -221 20 112 -631 -452 -141 -332 -257 377 4 -530 -134 18 245 -106 237 137 -123 -69 -265 306 -336 -66 -300 342 323 511 -694 -173 389 -23 53 261 -25 -740 -165 -947 -485 -500 12 -669 -91 -33 284 521 236 305 667 833 373 725 44 491 412 756 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