File name: Pandora55s1_QueensNY_20240519_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240520T050004.3Z 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_20240519_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: 20240519 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 20240519T121318.4Z 8905.509241 217 1 22.37 2 61.94 87.09 138.43 321.67 0.00 1 0.00 1 0 17 7.855e-02 1.237e-02 1.447e-02 3.612e-03 3.161798e-01 1.906132e-03 3.751408e-03 -6.000000e+00 4.724067e-02 231.41 -2.00 3.51 -2.00 317.51 0.00e+00 1.178581e-04 2.938985e-04 2.101132e-04 -6.000000e+00 2.080571e-03 284.15 -2.00 20.00 -2.00 316.75 0.00e+00 2.115 0.000 302.00 328.00 3 4.7641e+00 5.0792e-03 2.6966e-02 -6.0000e+00 1.1824e-01 3.1775e-02 5.7042e-03 1.6526e-02 -6.0000e+00 1.2781e-01 7.1357e-03 3.4783e-03 8.0171e-03 -6.0000e+00 7.5980e-02 -6.4061e-03 1.7161e-03 2.2111e-03 -6.0000e+00 3.1899e-02 3.5919e-04 -6.4442e-04 1.1162e-04 2.7132e-05 -6.0000e+00 2.3623e-03 2.0622e-02 0.0000e+00 12 9 9 12 37 1 99.71 22.78 0.13 0.02062 0.01578 5 3 1 5 0 3727.890 26.11 20.01 22.78 23.16 37.0 1087.68 -20090 53326 -17672 4538 14070 -3027 48488 1291 2253 -15477 -2897 -7098 -25502 11514 -2500 -9032 17368 15036 7397 -4590 1847 2262 -6859 148 -5278 12482 -2390 -698 -1467 -2961 1102 -1648 -2333 -692 6444 -908 -3616 2417 1222 -1930 610 -1794 -2226 -1310 1961 -2787 -364 858 2736 -576 278 -1306 2924 3164 1617 2810 1728 2249 940 791 2935 2034 -1973 968 -1524 126 -1167 1019 849 -57 166 -530 -1516 1390 -248 378 1640 -29 -347 -1452 -1543 -1298 -1043 -2587 -836 -1752 -313 -1171 -73 -317 166 634 1479 414 1288 261 727 43 -417 -147 -537 -39 1284 595 -323 -326 -879 338 1023 -139 -836 123 -734 -767 118 490 998 558 -137 -808 -394 753 738 -274 354 -549 1117 502 288 738 776 905 111 439 -331 226 239 15 -663 -806 -496 -251 -324 -2116 3007 -1884 370 990 -254 2770 127 237 -1968 -337 -933 -4489 1664 -457 -1881 3003 2771 1517 -1073 414 511 -1742 37 -1463 3018 -644 -178 -365 -763 294 -488 -731 -214 1829 -279 -1255 922 539 -963 318 -984 -1247 -733 1075 -1576 -200 463 1458 -322 162 -813 1850 2074 1097 1931 1208 1560 652 551 2076 1529 -1612 801 -1274 100 -899 777 688 -50 154 -503 -1441 1257 -216 306 1243 -22 -275 -1260 -1443 -1292 -1084 -2819 -939 -2060 -377 -1440 -89 -378 188 680 1506 423 1361 296 880 56 -556 -195 -687 -47 1507 712 -405 -424 -1181 465 1449 -206 -1285 190 -1122 -1130 165 663 1342 769 -198 -1205 -595 1124 1082 -395 495 -749 1473 666 397 1060 1150 1371 172 694 -541 380 409 26 -1160 -1395 -839 -415 -529 SS 20240519T121719.4Z 8905.512031 220 1 10.08 2 61.18 87.72 138.90 322.95 0.00 1 0.00 1 0 25 9.480e-03 6.123e-03 2.002e-03 7.353e-04 3.151078e-01 3.885379e-04 3.743245e-03 -6.000000e+00 5.707080e-03 231.41 -2.00 3.51 -2.00 316.92 0.00e+00 4.739464e-05 5.111350e-05 8.164510e-05 -6.000000e+00 2.510963e-04 284.15 -2.00 20.00 -2.00 316.18 0.00e+00 2.064 0.000 302.00 328.00 3 1.1908e+00 1.0261e-03 2.6503e-02 -6.0000e+00 1.4285e-02 2.4133e-02 1.1461e-03 1.6357e-02 -6.0000e+00 1.5434e-02 -9.2261e-03 6.7280e-04 7.9422e-03 -6.0000e+00 9.1757e-03 4.9510e-04 3.2132e-04 2.1851e-03 -6.0000e+00 3.8581e-03 1.3599e-02 3.3344e-04 2.2479e-05 2.7470e-05 -6.0000e+00 2.8505e-04 1.2063e-02 0.0000e+00 12 1 1 12 5 1 99.95 22.78 0.21 0.01206 0.01457 97 93 1 5 0 102.750 26.11 19.98 22.78 23.34 36.9 1088.56 -2866 -3089 -4093 -3103 -1700 -1660 1248 -1103 -1970 -1678 210 175 -713 687 -631 -542 -727 612 786 -213 804 1396 498 221 -214 -429 -898 -151 1212 639 1519 1305 -1045 -798 -131 -100 408 320 -604 -858 -806 -1007 -1041 -712 -528 -702 -457 -240 586 841 670 808 911 629 818 903 593 664 893 1421 1541 1312 405 -450 5 75 216 1038 752 -3 -377 -633 -636 -575 -113 171 423 1188 248 -90 -834 -1476 -1239 -995 -1111 -766 -541 -471 -728 -126 301 484 1126 1382 1205 791 742 -436 -563 -435 -496 -101 770 -95 -808 -291 -787 -89 -50 -73 -271 -251 -224 -69 559 889 819 709 -2 -511 -316 -232 -335 195 195 430 1334 1014 485 484 38 338 100 178 -260 -81 173 -406 -492 -211 -325 -280 -48 -381 -400 -568 -395 -200 -198 159 -162 -290 -254 32 29 -137 151 -147 -136 -193 168 224 -63 239 417 146 69 -71 -145 -296 -47 359 195 497 468 -382 -309 -49 -38 163 143 -305 -493 -474 -620 -656 -450 -333 -442 -283 -146 353 521 421 544 620 450 603 682 455 505 668 1061 1198 1053 339 -399 5 61 174 836 631 -3 -354 -617 -614 -552 -100 142 337 963 206 -81 -811 -1524 -1313 -1071 -1232 -903 -646 -576 -887 -152 337 533 1147 1442 1287 903 878 -554 -731 -578 -619 -124 898 -115 -1011 -371 -1058 -120 -70 -106 -399 -376 -337 -101 772 1196 1094 953 -3 -733 -463 -336 -487 271 268 579 1764 1348 664 689 56 496 151 271 -409 -134 284 -686 -837 -351 -538 -444 -77 SS 20240519T122133.6Z 8905.514972 223 1 47.23 2 60.38 88.40 139.37 324.33 0.00 1 0.00 1 0 25 9.130e-03 5.884e-03 1.391e-03 4.535e-04 3.067397e-01 2.391421e-04 3.647680e-03 -6.000000e+00 5.496953e-03 231.41 -2.00 3.51 -2.00 317.18 0.00e+00 4.747083e-05 3.359225e-05 9.615245e-05 -6.000000e+00 2.418452e-04 284.15 -2.00 20.00 -2.00 316.43 0.00e+00 2.014 0.000 302.00 328.00 3 1.7409e+00 6.3334e-04 2.5862e-02 -6.0000e+00 1.3759e-02 2.3408e-02 7.0869e-04 1.5982e-02 -6.0000e+00 1.4866e-02 -3.1491e-03 4.2250e-04 7.7612e-03 -6.0000e+00 8.8378e-03 -2.8064e-03 2.0488e-04 2.1380e-03 -6.0000e+00 3.7161e-03 8.3366e-03 3.9729e-04 1.3932e-05 2.6529e-05 -6.0000e+00 2.7454e-04 1.1850e-02 0.0000e+00 12 1 1 12 5 1 99.99 22.77 0.18 0.01185 0.01484 536 109 1 5 0 87.930 26.11 20.00 22.77 23.46 36.9 1089.19 -2942 -1458 -4496 -3036 -1502 -1180 970 -269 -1058 -1807 806 -58 -618 669 -736 -870 -398 708 352 -446 805 1360 340 456 -220 -471 -901 76 910 1027 1625 1324 -1218 -1009 -2 -110 313 414 -476 -1208 -842 -1275 -1063 -600 -533 -874 -681 -476 525 774 571 777 855 649 685 901 500 723 902 1417 1403 1234 540 -545 -64 97 205 1210 683 100 -268 -634 -571 -694 -106 282 456 1115 230 -5 -599 -1441 -1200 -1215 -1053 -656 -501 -484 -569 -64 270 416 1278 1410 1213 890 769 -319 -448 -379 -525 -81 738 25 -716 -334 -747 -164 5 -80 -307 -309 -163 -37 541 766 778 661 -73 -556 -343 -198 -271 90 106 389 1254 934 364 504 36 224 112 230 -262 -168 192 -392 -443 -207 -243 -200 60 -321 -165 -513 -340 -155 -123 109 -34 -137 -242 108 -9 -104 129 -162 -193 -92 170 88 -116 210 356 94 133 -68 -149 -278 22 253 290 494 441 -414 -341 -1 -37 116 171 -235 -644 -484 -727 -619 -350 -311 -509 -389 -282 307 465 347 505 590 446 486 654 369 527 648 1016 1049 949 452 -461 -56 79 157 972 570 89 -248 -609 -543 -660 -93 233 362 860 191 -5 -572 -1459 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