File name: Pandora64s1_NewHavenCT_20250306_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250307T052923.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.74 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250306_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20250306 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20250306T143929.6Z 9196.610759 195 1 48.32 2 57.03 136.01 93.47 48.82 0.00 1 0.00 1 0 17 3.229e-02 8.588e-03 1.085e-02 2.764e-03 2.898687e-01 1.461033e-03 3.505503e-03 -6.000000e+00 1.939823e-02 225.73 -2.00 3.52 -2.00 317.84 0.00e+00 9.816524e-04 2.397278e-04 2.176338e-04 -6.000000e+00 8.388216e-04 276.22 -2.00 20.00 -2.00 317.25 0.00e+00 1.832 0.000 302.00 328.00 3 5.4130e+00 3.8633e-03 2.3624e-02 -6.0000e+00 4.8060e-02 3.6795e-02 4.3472e-03 1.4839e-02 -6.0000e+00 5.2068e-02 1.1248e-02 2.7257e-03 7.4167e-03 -6.0000e+00 3.0942e-02 -9.6813e-03 1.3684e-03 2.2767e-03 -6.0000e+00 1.3152e-02 2.5629e-04 6.1211e-04 8.7324e-05 2.6677e-05 -6.0000e+00 9.5858e-04 -9.1823e-03 1.8809e-04 11 8 0 10 0 0 99.99 21.48 0.18 -0.00918 -0.00458 119 29 1 5 0 406.000 25.90 19.98 21.48 14.74 39.0 985.75 -4790 288 2691 -2671 -33068 -793 -3709 -286 897 2351 -9060 646 -1957 695 -78 904 -47 2383 -646 4837 1406 1413 2862 1322 1606 1484 -1186 -426 350 -2041 2838 1288 2197 578 -2093 -2261 -745 -2306 89 603 -1374 -1124 -340 -1856 245 -209 -43 -546 -458 -1839 1859 519 1488 874 146 43 1572 -252 809 -85 -9 575 2096 1171 1602 -1423 524 -955 1195 1208 583 481 34 1005 114 -1165 337 -2202 -1192 -146 -1340 -829 -1815 -2229 -219 -350 221 631 1068 867 125 94 -1012 -415 504 670 -24 1122 893 -498 -989 -1500 -2727 -61 10 -1086 -547 -101 -19 691 828 314 74 228 -510 -406 422 -284 192 614 144 123 668 414 781 590 -1172 352 768 390 345 -606 -834 -372 598 52 -231 464 489 -524 -273 -790 -420 25 235 -225 -3470 -61 -315 -26 88 237 -1019 72 -256 95 -12 153 -8 436 -126 929 282 282 588 291 366 348 -280 -94 74 -451 647 318 585 156 -544 -615 -224 -823 35 265 -658 -559 -173 -959 124 -106 -21 -270 -224 -938 979 295 882 549 94 28 1034 -166 522 -56 -6 426 1547 914 1205 -1082 378 -700 942 1002 516 437 30 846 89 -881 235 -1551 -905 -124 -1198 -809 -1884 -2452 -241 -408 267 769 1281 985 139 96 -988 -408 531 777 -29 1474 1205 -655 -1228 -1833 -3290 -72 12 -1441 -763 -147 -29 1062 1320 498 113 339 -709 -543 572 -404 292 964 227 191 999 589 1062 769 -1500 462 1076 581 538 -975 -1316 -613 1034 94 -424 861 900 -940 -473 -1333 SS 20250306T144353.7Z 9196.613816 198 1 48.58 2 56.46 137.13 92.86 49.53 0.00 1 0.00 1 0 25 1.373e-02 7.623e-03 1.960e-03 7.461e-04 2.816535e-01 3.958049e-04 3.427560e-03 -6.000000e+00 8.244337e-03 225.73 -2.00 3.52 -2.00 316.76 0.00e+00 4.154414e-04 4.945968e-05 7.161353e-05 -6.000000e+00 3.566629e-04 276.22 -2.00 20.00 -2.00 316.17 0.00e+00 1.804 0.000 302.00 328.00 3 3.5912e+00 1.0287e-03 2.3105e-02 -6.0000e+00 2.0425e-02 2.0035e-02 1.1491e-03 1.4357e-02 -6.0000e+00 2.2134e-02 -2.6270e-04 6.7937e-04 7.1396e-03 -6.0000e+00 1.3154e-02 -3.7594e-03 3.2636e-04 2.0612e-03 -6.0000e+00 5.5876e-03 1.6758e-03 -7.6216e-05 2.2973e-05 2.5741e-05 -6.0000e+00 4.0792e-04 -8.5409e-03 3.0468e-05 11 8 0 10 0 0 99.92 21.48 0.15 -0.00854 -0.00911 107 26 1 5 0 453.950 25.90 19.99 21.48 15.05 39.2 989.20 -297 -859 -491 -3408 -9669 -1381 -2032 897 310 74 -4893 -1457 -1130 -112 3 1228 -1242 1541 -25 2007 821 357 906 1247 287 1333 249 -719 -919 -102 1259 563 1883 457 -4528 -2119 -1589 -1029 119 43 -943 -1161 -374 -977 -503 175 -594 -20 -603 -574 1348 1023 926 1257 354 745 1286 406 406 489 527 1130 1253 1784 913 -1355 -183 -1358 720 1624 264 431 -166 317 232 -752 -415 -2002 -366 -224 -1188 -947 -1926 -2169 -495 -645 7 26 750 453 399 542 -681 217 883 391 -148 1039 596 -433 -423 -1346 -1673 245 394 -1294 -402 -621 -281 279 754 329 233 117 -205 -86 455 -146 495 386 -208 -302 566 152 897 1100 -843 766 919 536 513 -327 -671 -355 409 -130 -494 340 171 -507 -66 -747 -40 -121 -70 -453 -1259 -167 -267 128 48 12 -829 -258 -228 -25 1 313 -336 427 -7 594 248 108 285 412 100 470 87 -237 -292 -33 431 207 739 180 -1769 -845 -656 -495 62 25 -570 -731 -240 -631 -323 112 -372 -12 -370 -362 893 722 648 923 267 574 997 314 309 376 424 921 1093 1620 808 -1136 -146 -1101 629 1483 259 433 -164 298 211 -624 -340 -1642 -303 -208 -1170 -969 -2096 -2380 -575 -758 9 32 909 546 444 583 -695 222 971 453 -182 1372 774 -572 -524 -1640 -1997 305 501 -1663 -540 -874 -399 419 1124 487 343 167 -274 -116 594 -201 692 563 -305 -434 787 210 1180 1444 -1089 1013 1244 770 741 -486 -1030 -547 663 -211 -820 569 285 -821 -107 -1185 SS 20250306T144901.0Z 9196.617373 201 1 6.97 2 55.82 138.45 92.15 50.35 0.00 1 0.00 1 0 25 1.883e-02 8.687e-03 8.296e-03 3.353e-03 2.770598e-01 1.781200e-03 3.393905e-03 -6.000000e+00 1.129978e-02 225.73 -2.00 3.52 -2.00 316.65 0.00e+00 8.280747e-04 2.166165e-04 1.011259e-04 -6.000000e+00 4.889253e-04 276.22 -2.00 20.00 -2.00 316.07 0.00e+00 1.774 0.000 302.00 328.00 3 4.4521e+00 4.6197e-03 2.2744e-02 -6.0000e+00 2.7995e-02 3.1771e-02 5.1567e-03 1.4166e-02 -6.0000e+00 3.0342e-02 -5.2518e-04 3.0403e-03 7.0389e-03 -6.0000e+00 1.8032e-02 -3.2574e-03 1.4503e-03 2.0667e-03 -6.0000e+00 7.6562e-03 7.2930e-04 -6.9813e-04 1.0304e-04 2.5812e-05 -6.0000e+00 5.5958e-04 -8.4689e-03 -1.0426e-04 12 9 1 12 1 1 63.93 21.48 0.10 -0.00847 -0.01371 4 8 1 5 0 1391.900 25.90 19.99 21.48 15.82 39.1 991.44 -166 707 -1321 -2895 -15813 -2266 -2764 1364 1058 -256 -4194 -1171 -3672 -4047 3226 -485 1206 -226 1687 2747 397 889 2328 1377 1950 1155 -59 -2222 -542 -418 2960 -1671 3193 71 -2548 -1364 -1626 -1735 197 -398 -263 -1396 469 -1709 -190 471 -537 -672 -183 -1119 2192 735 1014 1505 232 495 1264 664 409 172 522 1264 1103 1679 889 -1079 -363 -1161 150 2023 468 352 -373 271 -688 -503 -251 -1714 -901 -33 -1305 -698 -2273 -2120 -383 -383 -40 168 1019 430 -78 500 -849 -316 941 473 -84 1115 761 -744 -473 -1831 -1871 72 777 -1507 -353 -469 84 387 1331 466 437 356 -200 37 86 -149 384 355 121 -327 659 122 939 843 -954 622 1044 114 509 -998 -246 -638 205 -92 -556 290 490 -426 186 -844 -24 107 -206 -416 -2378 -300 -395 208 176 -45 -757 -222 -771 -973 817 -131 331 -66 501 837 124 276 744 467 684 419 -21 -763 -176 -138 1022 -643 1205 27 -999 -525 -702 -835 105 -242 -163 -910 309 -1148 -126 309 -348 -430 -115 -731 1483 513 743 1152 176 383 980 512 312 133 421 1049 982 1497 801 -917 -307 -992 134 1896 455 351 -366 262 -640 -439 -204 -1392 -789 -31 -1273 -716 -2494 -2369 -439 -464 -49 208 1232 510 -89 540 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