File name: Pandora55s1_QueensNY_20240404_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240405T201535.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240404_L1_smca1c17d20220526p1-8.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: 20240404 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240404T123438.4Z 8860.524055 147 1 29.95 2 67.90 101.58 62.92 167.26 0.00 1 0.00 1 0 25 3.603e-02 6.383e-03 9.023e-03 9.956e-04 4.626778e-01 5.201574e-04 5.429271e-03 -6.000000e+00 2.138909e-02 227.81 -2.00 3.51 -2.00 318.70 0.00e+00 2.271320e-04 1.140497e-04 2.574956e-04 -6.000000e+00 9.351826e-04 279.30 -2.00 20.00 -2.00 318.05 0.00e+00 2.635 0.000 302.00 328.00 3 2.0222e+00 1.4169e-03 3.5722e-02 -6.0000e+00 5.3161e-02 4.4225e-02 1.6233e-03 2.3876e-02 -6.0000e+00 5.7653e-02 -7.5716e-03 1.1619e-03 1.1793e-02 -6.0000e+00 3.4277e-02 -4.0845e-03 6.0992e-04 3.3950e-03 -6.0000e+00 1.4443e-02 2.7200e-03 2.3669e-04 2.9800e-05 4.0004e-05 -6.0000e+00 1.0820e-03 1.6461e-02 0.0000e+00 12 1 1 12 5 1 99.99 22.57 0.17 0.01646 0.01824 132 42 1 5 0 225.100 25.90 19.99 22.57 10.07 35.2 1031.39 -10674 -1596 -17229 -17743 -2803 -15093 4215 -8191 -9730 -14086 -10098 -8120 -8508 4606 -3510 -2106 -4811 4455 208 833 -260 985 -2295 -1154 -652 736 -1927 -3102 -826 41 2551 295 -1475 -1292 1569 -1325 -1116 470 -651 -1614 -1129 -1607 -1402 -441 303 -1107 55 275 1018 746 752 363 1351 976 696 878 539 734 782 1685 1755 1469 428 -31 67 749 658 1297 678 104 -253 -697 -651 -339 121 514 1089 1331 283 -207 -539 -1491 -1311 -1191 -1090 -972 -816 -621 -616 -2 325 615 1546 1453 1261 696 737 -308 -620 -484 -523 -65 811 -161 -894 -411 -945 25 139 -106 -452 -58 -67 38 654 822 931 574 -374 -729 -527 -206 -246 5 -4 471 1485 894 208 600 96 408 81 315 -346 -102 148 -394 -489 -125 -252 -193 104 -333 -49 -616 -600 -78 -490 126 -316 -417 -665 -488 -439 -525 300 -289 -191 -460 439 21 88 -28 108 -276 -149 -89 102 -269 -424 -110 6 394 53 -277 -244 282 -253 -241 120 -192 -527 -401 -606 -543 -171 118 -438 22 109 410 304 333 169 671 516 370 481 301 404 441 942 985 903 281 -21 45 506 431 867 484 80 -205 -585 -537 -274 92 369 725 886 208 -163 -466 -1399 -1281 -1232 -1162 -1067 -938 -707 -714 -2 344 621 1516 1444 1319 774 896 -396 -825 -656 -683 -79 959 -189 -1128 -530 -1253 34 196 -159 -707 -93 -106 59 961 1181 1331 832 -564 -1153 -818 -319 -370 8 -5 669 2016 1241 306 912 153 664 138 545 -622 -188 280 -743 -923 -234 -463 -344 181 SS 20240404T124405.2Z 8860.530616 150 1 12.57 2 66.15 103.29 62.54 169.64 0.00 1 0.00 1 0 25 1.679e-01 9.637e-03 5.561e-02 4.051e-03 4.300827e-01 2.113567e-03 5.068989e-03 -6.000000e+00 9.964695e-02 227.81 -2.00 3.51 -2.00 318.68 0.00e+00 1.683373e-04 4.631806e-04 3.777598e-04 -6.000000e+00 4.358248e-03 279.30 -2.00 20.00 -2.00 318.04 0.00e+00 2.455 0.000 302.00 328.00 3 3.9563e+00 5.7524e-03 3.3302e-02 -6.0000e+00 2.4766e-01 4.0322e-02 6.5968e-03 2.2319e-02 -6.0000e+00 2.6863e-01 1.5633e-02 4.7363e-03 1.0996e-02 -6.0000e+00 1.5971e-01 -1.2653e-02 2.4854e-03 3.1413e-03 -6.0000e+00 6.7262e-02 4.8438e-04 -4.3711e-05 1.2241e-04 3.7228e-05 -6.0000e+00 5.0429e-03 1.9230e-02 0.0000e+00 12 9 9 12 5 1 99.99 22.56 0.14 0.01923 0.01890 10 8 1 5 0 1141.390 25.90 20.00 22.56 10.45 35.4 1034.12 -37312 147271 -42865 25316 33185 8413 66816 3628 -1340 -8072 424 -10372 -22066 14106 4187 -13269 68836 13446 12286 7988 1761 4593 -10677 -4209 -4352 20198 -1850 -1351 -7619 3458 3002 172 -3914 -2526 10258 -1652 -4292 1016 -389 -3136 -159 -3439 -2272 -2100 3600 -1570 1314 220 -393 475 -825 -1258 2044 1117 180 1744 508 1017 -151 1645 2309 1336 -1459 237 -915 614 -860 1593 1143 349 76 1228 -1285 981 -531 222 2132 1508 259 -1087 491 -1402 -992 -1138 -727 -1486 -589 -1374 -286 -70 1043 549 1352 1698 1559 539 626 -574 -549 -198 -538 118 1106 -123 45 -705 -1365 -149 386 134 -556 82 -197 -150 -159 304 1058 591 27 -1603 -546 497 54 149 -548 509 1486 770 -233 109 408 709 40 600 -279 440 44 -509 -648 -19 -354 -257 146 -1616 1278 -2085 627 732 240 1244 135 -56 -378 19 -590 -1642 891 332 -1354 3559 1226 1188 831 198 513 -1440 -575 -632 2404 -264 -186 -1103 477 461 30 -762 -490 1742 -322 -955 254 -115 -1064 -57 -1314 -883 -821 1355 -619 506 86 -157 197 -369 -605 1011 585 98 965 287 569 -84 907 1311 819 -978 165 -644 413 -569 1052 816 272 63 1030 -1086 785 -406 157 1406 1002 185 -863 423 -1314 -975 -1169 -776 -1666 -678 -1612 -332 -79 1115 556 1315 1657 1609 605 760 -750 -744 -266 -696 143 1292 -147 56 -914 -1835 -206 555 203 -880 131 -313 -230 -235 433 1499 860 41 -2519 -858 767 83 221 -794 712 2015 1061 -338 166 649 1159 67 1030 -498 804 83 -963 -1229 -35 -644 -453 254 SS 20240404T124840.0Z 8860.533796 154 1 20.93 2 65.31 104.13 62.38 170.80 0.00 1 0.00 1 0 25 2.017e-02 6.258e-03 4.866e-03 7.730e-04 4.209074e-01 4.033074e-04 4.971600e-03 -6.000000e+00 1.197268e-02 227.81 -2.00 3.51 -2.00 318.27 0.00e+00 3.116785e-04 7.757306e-05 2.140095e-04 -6.000000e+00 5.234686e-04 279.30 -2.00 20.00 -2.00 317.62 0.00e+00 2.378 0.000 302.00 328.00 3 1.4846e+00 1.0840e-03 3.2339e-02 -6.0000e+00 2.9757e-02 4.0850e-02 1.2300e-03 2.1668e-02 -6.0000e+00 3.2272e-02 -7.4453e-03 8.2334e-04 1.0679e-02 -6.0000e+00 1.9186e-02 -3.4065e-03 4.2719e-04 3.0669e-03 -6.0000e+00 8.0846e-03 6.3128e-03 2.7025e-04 2.3258e-05 3.5866e-05 -6.0000e+00 6.0566e-04 1.6341e-02 0.0000e+00 12 1 1 12 5 1 99.99 22.56 0.21 0.01634 0.01837 199 91 1 5 0 104.610 25.90 19.99 22.56 10.73 35.5 1035.38 -9311 659 -10384 -6007 -8472 -6951 -532 -3901 -6240 -5718 -3294 -3721 -1456 -690 -1559 -2865 438 549 103 -974 955 1456 -1066 -52 -1272 -12 -1909 -125 -67 1461 817 1389 -1279 -539 975 -660 -44 197 -478 -1402 -834 -1716 -981 -578 -259 -729 -593 -344 393 972 639 1033 1036 1106 630 1026 402 653 740 1353 1678 1378 485 -424 308 440 631 1331 709 -160 -272 -696 -566 -655 -51 553 927 1338 167 74 -766 -1487 -1167 -1301 -1061 -892 -566 -541 -646 -80 432 598 1567 1459 1232 965 714 -369 -493 -443 -635 46 609 -140 -890 -386 -860 -139 -12 -103 -388 -300 -49 -32 730 877 832 519 -179 -678 -486 -246 -360 170 97 490 1367 1069 336 571 5 322 193 214 -232 -191 107 -408 -406 -279 -265 -168 120 -457 31 -546 -283 -388 -322 -26 -222 -364 -347 -206 -263 -120 -67 -177 -364 54 71 14 -140 137 211 -167 -9 -229 -2 -346 -21 -11 256 161 305 -290 -131 227 -161 -11 60 -165 -557 -338 -738 -430 -255 -115 -325 -264 -153 176 455 325 536 576 650 387 612 245 392 461 839 1028 921 340 -319 230 313 453 922 543 -131 -242 -611 -489 -562 -42 410 670 960 125 60 -679 -1469 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