File name: Pandora64s1_NewHavenCT_20230831_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230902T001349.9Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230831_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: 20230831 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 20230831T110638.8Z 8643.462949 228 1 48.84 2 81.58 85.87 95.26 260.74 0.00 1 0.00 1 0 33 4.773e-01 3.156e-02 2.144e-01 9.575e-03 7.368222e-01 5.527332e-03 8.845825e-03 -6.000000e+00 2.905254e-01 230.53 -2.00 3.52 -2.00 321.46 0.00e+00 9.369313e-03 2.675499e-03 3.095595e-03 -6.000000e+00 1.306619e-02 288.84 -2.00 20.00 -2.00 320.84 0.00e+00 6.419 0.005 302.00 328.00 3 2.5396e+00 1.9378e-02 7.5810e-02 -6.0000e+00 7.2474e-01 7.6486e-01 2.4490e-02 4.1004e-02 -6.0000e+00 7.8207e-01 -9.7334e-01 1.8238e-02 2.2196e-02 -6.0000e+00 4.6651e-01 3.9504e-01 8.7521e-03 8.1048e-03 -6.0000e+00 1.9771e-01 2.9623e-05 -6.3602e-03 2.7710e-04 1.5274e-04 -6.0000e+00 1.4221e-02 3.6601e-03 -6.8986e-04 12 8 8 10 0 0 99.96 21.92 0.16 0.00366 -0.04413 22 5 1 5 0 2219.650 26.32 20.00 21.92 23.67 38.8 1014.99 -62382 321 30816 -54831 327277 -87190 -87279 -152067 63704 -72318 -98561 -69261 -3725 -72485 13801 7999 -88770 97616 -4744 28739 74806 94347 192092 83434 28475 -8278 -19360 -50850 -15779 -89938 2181 11872 24081 21073 13632 35213 17710 25264 37182 3141 70378 49427 35838 8633 14466 45918 38996 45505 31432 -25188 53234 47039 36736 29524 41598 12875 10431 19850 25227 23738 11603 22491 16058 29621 24785 12060 3270 16900 11280 11904 10270 7643 1294 5823 -2034 -3569 12761 -7267 -7371 5144 -6397 -6757 -3611 -1536 -5078 -1148 -1191 -290 1038 2806 -6492 -2173 -5429 -4436 -5286 221 -4827 -363 25 -1667 -3144 -4032 -6322 -1432 -1143 -4848 -2662 3415 -2111 570 2628 -211 -63 2094 -189 -1489 649 -275 763 2079 -198 1834 2287 2182 4533 1590 -1127 1719 1177 -555 284 -623 -140 -354 1001 -29 136 -212 1950 -1685 -1109 -2192 -2056 6 450 -1566 3055 -2873 -2876 -9854 595 -2321 -3951 -2586 -91 -4140 427 299 -8334 1823 -221 1023 1615 1703 1793 1714 947 -396 -1005 -3267 -773 -9829 121 679 1363 1230 795 1685 1106 1681 2560 323 4189 3556 3051 967 1541 3631 3362 3824 3176 -4546 5145 5270 4882 4491 5734 2271 1883 3347 3893 3715 2160 4175 3373 6007 5386 2909 880 4146 3276 3859 3579 2771 478 1909 -651 -1055 3137 -2311 -2726 1988 -3027 -3636 -2028 -893 -3276 -749 -808 -197 688 1739 -4134 -1272 -3262 -2851 -3940 181 -4561 -372 27 -1791 -3201 -3941 -5943 -1328 -1132 -4952 -2863 3751 -2734 809 3826 -329 -99 3256 -288 -2263 994 -424 1228 3357 -318 2917 3520 3235 6370 2245 -1618 2619 1959 -1050 583 -1312 -311 -841 2507 -74 345 -547 5047 -4278 -2640 -4993 SS 20230831T112711.9Z 8643.477222 239 1 18.69 2 77.73 89.23 98.88 264.03 0.00 1 0.00 1 0 25 1.885e-01 7.342e-03 3.417e-02 1.512e-03 5.462193e-01 8.320925e-04 6.347041e-03 -6.000000e+00 1.151887e-01 230.52 -2.00 3.52 -2.00 320.08 0.00e+00 1.372868e-03 2.914385e-04 6.799774e-04 -6.000000e+00 5.158054e-03 288.84 -2.00 20.00 -2.00 319.36 0.00e+00 4.566 0.002 302.00 328.00 3 8.1901e-01 2.4804e-03 5.4089e-02 -6.0000e+00 2.8739e-01 2.3954e-02 3.0453e-03 2.9238e-02 -6.0000e+00 3.0970e-01 -7.9124e-03 2.5977e-03 1.4575e-02 -6.0000e+00 1.8475e-01 -5.9231e-03 1.3254e-03 4.3328e-03 -6.0000e+00 7.8618e-02 1.3536e-03 -6.7005e-04 4.5575e-05 5.3936e-05 -6.0000e+00 5.6108e-03 -6.6604e-03 -2.1596e-05 12 9 1 12 1 1 99.87 21.90 0.18 -0.00666 -0.01170 117 73 1 5 0 158.320 26.32 20.00 21.90 23.75 38.8 1015.71 -54892 -62313 -36256 -69038 -125347 -67580 -64061 -64338 -28543 -39555 -35420 -32321 -26197 -23323 -6110 -5398 -11308 -3853 -7273 -4179 -8308 -3815 -1336 1673 -1292 -2194 -3868 -3300 -2848 -6065 1570 -240 381 -1552 -4421 -2116 -794 -540 2619 -626 529 -767 1111 -273 127 -530 277 -599 -742 -453 1918 1883 1680 1815 482 815 1091 547 168 748 882 1625 1558 2691 1511 -909 330 -823 974 1797 613 943 -338 269 -556 -962 -283 -1505 -581 -75 -1330 -558 -1975 -1798 -614 -660 144 168 1157 980 490 475 -213 -108 685 215 -157 987 517 -502 -283 -1460 -1997 30 526 -1733 -372 -623 -193 202 806 253 130 146 -94 -144 633 -186 435 380 -234 -496 790 36 916 737 -1160 311 899 195 258 -463 -547 -378 452 -149 -550 364 400 -358 136 -364 -615 -836 -396 -987 -2721 -946 -963 -1110 -387 -647 -590 -615 -583 -622 -167 -169 -374 -131 -272 -161 -341 -152 -56 74 -63 -114 -205 -169 -147 -355 100 -18 32 -134 -379 -189 -80 -65 340 -98 89 -140 208 -53 25 -107 56 -127 -164 -107 494 533 516 556 156 273 373 187 57 254 317 641 683 1269 724 -430 156 -409 498 1027 379 595 -210 158 -300 -512 -144 -805 -325 -48 -989 -431 -1658 -1601 -582 -621 140 166 1119 901 451 414 -182 -98 645 231 -180 1246 682 -648 -341 -1630 -2288 35 623 -2191 -496 -840 -282 305 1301 417 211 225 -144 -217 972 -285 703 629 -384 -790 1211 56 1369 1066 -1682 478 1443 326 466 -879 -1039 -760 919 -314 -1189 792 858 -739 280 -724 SS 20230831T113230.6Z 8643.480909 242 1 20.51 2 76.73 90.11 99.81 264.88 0.00 1 0.00 1 0 25 1.161e-01 6.963e-03 1.924e-02 1.097e-03 5.108196e-01 5.994346e-04 5.969455e-03 -6.000000e+00 7.091445e-02 230.52 -2.00 3.52 -2.00 319.72 0.00e+00 5.876988e-04 1.843194e-04 4.654656e-04 -6.000000e+00 3.175568e-03 288.84 -2.00 20.00 -2.00 318.96 0.00e+00 4.247 0.001 302.00 328.00 3 6.7860e-01 1.7374e-03 5.0373e-02 -6.0000e+00 1.7693e-01 1.5430e-02 2.0809e-03 2.7255e-02 -6.0000e+00 1.9067e-01 -7.7143e-03 1.6699e-03 1.3399e-02 -6.0000e+00 1.1374e-01 -3.8365e-03 8.6377e-04 3.7847e-03 -6.0000e+00 4.8399e-02 2.2055e-03 -6.4535e-04 3.3249e-05 4.4564e-05 -6.0000e+00 3.4544e-03 -6.4224e-03 -2.4527e-05 12 9 1 12 1 1 91.10 21.90 0.16 -0.00642 -0.01127 164 94 1 5 0 124.180 26.32 20.00 21.90 23.93 38.8 1016.71 -34168 -40049 -25446 -41586 -71859 -48836 -30242 -43149 -16725 -29067 -19679 -22121 -11493 -13242 -7940 -3711 -9156 -3078 -1530 -4447 -2677 -4297 -978 -2120 -1127 381 -3318 -5016 -2523 -4049 -1561 1120 1017 1404 -5454 -2170 -2199 -1287 -377 401 -1345 216 192 111 -86 463 -366 170 -203 176 1084 1525 872 1768 409 1032 876 663 -1 725 432 1420 1505 2646 1361 -983 129 -888 713 1835 619 767 -112 321 -76 -1206 -671 -1800 -660 -448 -815 -733 -1733 -2045 -632 -355 132 469 1107 611 451 432 -454 -19 757 310 -113 947 471 -565 -263 -1558 -1730 13 604 -1478 -204 -814 -335 254 686 218 161 159 -24 -155 532 -134 552 293 -310 -286 592 76 1033 702 -1082 327 984 184 398 -494 -642 -414 440 -58 -551 386 340 -290 114 -480 -497 -681 -392 -707 -1567 -882 -504 -937 -313 -662 -429 -575 -329 -427 -292 -149 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