File name: Pandora55s1_QueensNY_20230611_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114352.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230611_L1_smca1c18d20230426p1-8.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: 20230611 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20230611T124152.7Z 8562.529082 239 1 52.17 2 55.29 88.11 46.45 201.83 0.00 1 0.00 1 0 17 4.182e-02 1.140e-02 5.567e-03 2.065e-03 2.649587e-01 1.093767e-03 3.158319e-03 -6.000000e+00 2.526246e-02 232.68 -2.00 3.51 -2.00 316.90 0.00e+00 -4.260456e-04 1.429765e-04 6.569929e-05 -6.000000e+00 1.114364e-03 286.33 -2.00 20.00 -2.00 316.11 0.00e+00 1.751 0.000 302.00 328.00 3 5.2496e+00 2.8919e-03 2.2487e-02 -6.0000e+00 6.3386e-02 -5.8903e-03 3.2296e-03 1.3885e-02 -6.0000e+00 6.8378e-02 -2.0467e-03 1.8874e-03 6.7233e-03 -6.0000e+00 4.0698e-02 1.7189e-03 8.8748e-04 1.8419e-03 -6.0000e+00 1.6998e-02 3.4819e-04 -2.1482e-04 6.3688e-05 2.3529e-05 -6.0000e+00 1.2495e-03 2.6248e-03 0.0000e+00 12 9 8 11 40 0 44.31 22.65 0.87 0.00262 0.00101 14 3 1 5 0 3725.800 26.00 20.00 22.65 32.39 35.0 1100.00 -13650 -14209 25242 -15520 -2155 6602 -2800 13762 -2120 -3612 -7227 -3938 -7130 -4822 7423 -2414 -6862 13688 7346 3900 3629 -652 1306 -5770 -499 -2076 10757 -2362 -2612 -2129 -932 2383 -1347 1087 -2247 4584 -2635 -4297 641 1594 -3099 -302 459 921 -2236 1265 -7 1239 -753 1287 -767 1440 -1135 2105 1936 665 2989 483 1856 782 618 1834 2439 1077 -128 -2776 1011 -829 549 823 -1422 219 8 -631 614 -1222 161 1567 304 170 -1324 51 -1349 -1176 -2606 -854 -1538 -663 -1030 102 72 -97 -90 800 1053 876 -67 505 -338 -799 -503 -124 -12 1128 692 -862 -357 -934 160 1012 380 -772 90 -72 -365 249 624 1047 262 80 -974 -365 797 416 253 -311 -31 969 772 957 904 516 770 187 317 -347 426 181 -534 -242 -795 -579 -407 -523 -1933 -2227 2881 -2497 -285 760 -358 1650 -326 -601 -1266 -681 -1354 -1005 1559 -606 -1887 3275 1919 1085 1038 -195 388 -1883 -164 -718 3393 -807 -854 -670 -294 771 -481 397 -836 1570 -978 -1773 292 819 -1809 -182 283 576 -1435 792 -5 758 -460 773 -476 917 -773 1456 1387 491 2214 366 1391 585 466 1410 1966 920 -113 -2472 837 -668 438 694 -1307 209 8 -618 580 -1114 136 1236 238 138 -1175 48 -1365 -1239 -2873 -971 -1833 -812 -1286 125 86 -112 -98 827 1075 930 -76 610 -433 -1058 -660 -157 -15 1320 828 -1085 -466 -1255 220 1426 558 -1173 137 -107 -525 342 826 1378 354 112 -1429 -543 1171 604 359 -432 -41 1259 1006 1286 1265 748 1134 281 485 -550 692 300 -899 -410 -1334 -955 -655 -834 SS 20230611T130523.2Z 8562.545408 249 1 51.26 2 50.84 91.95 48.24 209.27 0.00 1 0.00 1 0 25 2.290e-02 8.358e-03 3.461e-03 1.584e-03 2.422270e-01 8.411205e-04 2.890864e-03 -6.000000e+00 1.382634e-02 232.68 -2.00 3.51 -2.00 316.37 0.00e+00 -2.065874e-04 9.658407e-05 5.606730e-05 -6.000000e+00 6.101511e-04 286.33 -2.00 20.00 -2.00 315.60 0.00e+00 1.580 0.000 302.00 328.00 3 4.9616e+00 2.2083e-03 2.0383e-02 -6.0000e+00 3.4691e-02 4.0965e-04 2.4578e-03 1.2649e-02 -6.0000e+00 3.7429e-02 -6.2367e-04 1.4146e-03 6.1272e-03 -6.0000e+00 2.2277e-02 -1.9619e-03 6.4704e-04 1.6686e-03 -6.0000e+00 9.2992e-03 5.6875e-04 -4.5421e-04 4.8695e-05 2.2029e-05 -6.0000e+00 6.8430e-04 5.7972e-03 0.0000e+00 11 9 0 11 32 0 71.43 22.65 0.42 0.00580 0.00238 20 4 1 5 0 2562.540 26.00 19.97 22.65 35.00 35.3 1100.00 -7867 -7555 10688 -10038 -1349 3854 1971 10919 1298 -700 -4487 -1545 -1393 -1063 4997 -881 -3910 1221 4784 2216 2353 1467 1273 -1025 -174 -57 4442 -725 -1175 -1054 710 2245 1391 -4157 -1811 2967 -1315 -1326 491 68 -2404 -229 -2258 -1494 -1467 387 -2276 264 -417 989 8 -302 21 1667 1680 878 2452 671 1258 587 1465 1835 1073 -540 -73 -1273 620 -19 1145 874 -208 294 -231 -838 432 -635 595 913 616 -670 -783 57 -1382 -1201 -1637 -600 -1056 34 -739 -413 -97 469 236 1025 823 1129 330 633 -228 -666 -389 -490 -217 1129 259 -718 -273 -735 147 539 108 -617 -59 -220 -303 198 556 569 414 13 -492 -332 188 385 88 -191 67 967 532 140 761 153 472 262 488 -174 169 46 -379 -554 -290 -482 -124 -101 -1411 -1475 1839 -2013 -234 599 317 1760 251 -146 -981 -333 -318 -268 1331 -268 -1277 396 1550 754 816 518 453 -382 -67 -23 1734 -288 -446 -387 258 847 561 -1809 -769 1182 -552 -608 251 40 -1537 -152 -1555 -1039 -1021 266 -1578 177 -277 647 5 -210 15 1238 1285 688 1934 538 1000 465 1161 1488 917 -488 -67 -1167 536 -16 947 762 -195 289 -232 -843 420 -594 518 749 497 -564 -710 54 -1421 -1279 -1813 -686 -1263 42 -923 -514 -117 543 258 1067 848 1200 372 760 -290 -873 -505 -614 -259 1316 309 -898 -353 -977 199 752 157 -919 -89 -323 -426 266 721 736 548 17 -703 -481 271 548 123 -259 88 1234 682 185 1042 216 677 381 723 -267 266 74 -616 -906 -470 -769 -193 -155 SS 20230611T131113.4Z 8562.549461 252 1 50.40 2 49.73 92.94 48.76 211.05 0.00 1 0.00 1 0 25 1.485e-02 7.517e-03 2.780e-03 1.343e-03 2.369161e-01 7.144173e-04 2.844023e-03 -6.000000e+00 8.963350e-03 232.68 -2.00 3.51 -2.00 316.23 0.00e+00 -2.332831e-04 7.935697e-05 5.261670e-05 -6.000000e+00 3.956208e-04 286.33 -2.00 20.00 -2.00 315.46 0.00e+00 1.544 0.000 302.00 328.00 3 4.6846e+00 1.8727e-03 1.9942e-02 -6.0000e+00 2.2489e-02 -3.0269e-03 2.0824e-03 1.2399e-02 -6.0000e+00 2.4266e-02 -9.4207e-04 1.1954e-03 6.0094e-03 -6.0000e+00 1.4443e-02 -2.5499e-03 5.4273e-04 1.6384e-03 -6.0000e+00 6.0273e-03 7.8628e-04 -6.2354e-04 4.1341e-05 2.2029e-05 -6.0000e+00 4.4375e-04 7.3171e-03 0.0000e+00 11 8 0 10 0 0 99.42 22.65 0.24 0.00732 0.00263 28 5 1 5 0 1799.710 26.00 19.98 22.65 35.37 35.2 1100.00 -4047 -4273 6035 -6824 -40 1278 -869 5434 981 -1049 -2400 -940 -1572 -401 3054 -1532 -2811 840 3359 2069 1739 225 1340 -1400 522 -380 3244 -793 -282 -871 684 1451 1215 -2886 -1629 1988 -859 -507 856 -263 -1987 -701 -1984 -1183 -837 534 -2152 227 -676 439 452 -25 313 1686 1316 454 1677 444 1090 876 1553 1588 1182 -62 -448 -1111 285 44 1555 997 -212 118 -352 -592 0 -455 489 971 1274 -220 -624 -279 -1397 -1234 -1562 -737 -888 -315 -544 -304 -53 -30 261 1099 1108 1165 545 481 -405 -854 -254 -572 74 987 352 -787 -347 -600 -71 391 155 -539 -438 -110 -298 318 812 1055 458 -129 -811 -409 71 186 117 -48 272 1123 946 130 605 94 529 333 518 -220 130 209 -414 -631 -486 -389 -306 45 -755 -872 1161 -1427 -7 218 -153 986 203 -234 -550 -215 -383 -107 873 -493 -955 286 1152 738 635 84 498 -546 209 -159 1332 -327 -111 -332 259 573 509 -1284 -714 825 -371 -238 450 -156 -1297 -476 -1392 -837 -592 375 -1520 155 -458 294 306 -18 230 1267 1022 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