File name: Pandora55s1_QueensNY_20240629_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240630T050711.5Z 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_20240629_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: 20240629 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 20240629T124241.8Z 8946.529651 287 1 50.69 2 55.84 87.52 38.97 213.24 0.00 1 0.00 1 0 25 1.556e-02 6.699e-03 2.982e-03 1.277e-03 2.500148e-01 6.801280e-04 2.972740e-03 -6.000000e+00 9.417793e-03 232.90 -2.00 3.51 -2.00 316.62 0.00e+00 -9.947174e-05 8.322960e-05 5.272824e-05 -6.000000e+00 4.191802e-04 288.14 -2.00 20.00 -2.00 315.80 0.00e+00 1.775 0.000 302.00 328.00 3 4.1785e+00 1.7922e-03 2.2165e-02 -6.0000e+00 2.3628e-02 2.0277e-03 1.9970e-03 1.3090e-02 -6.0000e+00 2.5485e-02 1.6146e-03 1.1569e-03 6.3175e-03 -6.0000e+00 1.5169e-02 -3.8613e-03 5.3884e-04 1.7134e-03 -6.0000e+00 6.3798e-03 1.0230e-03 3.9429e-04 3.9536e-05 2.2313e-05 -6.0000e+00 4.6822e-04 1.5180e-02 0.0000e+00 11 9 0 11 4 0 99.89 22.86 0.26 0.01518 0.01814 50 9 1 5 0 1013.690 26.11 19.97 22.86 29.17 37.5 1098.16 -5650 5409 -8693 -336 1159 -205 6678 1392 -386 -3976 7 -2671 -884 3022 -168 -2595 -558 2977 1668 -711 768 1743 -2222 416 -411 2965 -1779 41 -625 920 1939 1166 -1522 -1843 2272 -1372 -190 657 136 -1640 -252 -2062 -1317 -788 484 -1147 -418 -417 566 511 227 249 1265 1354 716 1573 476 910 812 1215 1808 1268 157 -397 -682 169 -130 797 899 64 -161 -208 -602 76 -257 383 714 857 -244 -649 -412 -1640 -817 -1277 -966 -912 -570 -525 -515 -58 111 389 962 940 1268 474 671 -98 -369 -321 -650 -23 735 270 -1015 -328 -739 70 323 169 -444 -127 -132 -204 345 660 745 493 -138 -710 -150 142 14 237 71 34 1153 801 206 606 116 387 243 369 -294 -3 112 -342 -425 -328 -453 -287 77 -957 863 -1530 -51 164 -30 991 240 -72 -775 1 -554 -201 740 -46 -767 -168 896 523 -233 251 568 -772 148 -153 1086 -661 14 -212 311 684 441 -609 -735 853 -541 -81 318 75 -994 -159 -1359 -876 -523 319 -758 -271 -266 357 326 151 174 911 1003 543 1209 371 706 625 936 1428 1055 138 -359 -611 143 -106 646 769 59 -155 -206 -596 73 -236 328 576 678 -201 -579 -393 -1670 -860 -1396 -1100 -1080 -697 -651 -638 -70 128 423 996 961 1339 533 802 -125 -482 -417 -815 -27 857 322 -1271 -424 -985 95 452 246 -664 -191 -195 -289 466 860 966 656 -192 -1023 -219 206 20 332 97 46 1480 1032 275 837 165 561 357 554 -456 -4 182 -565 -705 -539 -733 -453 121 SS 20240629T125745.3Z 8946.540107 304 1 21.74 2 52.99 89.93 40.54 218.42 0.00 1 0.00 1 0 17 1.441e-02 6.930e-03 3.850e-03 1.963e-03 2.322289e-01 1.049366e-03 2.760541e-03 -6.000000e+00 8.719470e-03 232.90 -2.00 3.51 -2.00 316.12 0.00e+00 2.027804e-05 1.146130e-04 3.635424e-05 -6.000000e+00 3.880489e-04 288.14 -2.00 20.00 -2.00 315.34 0.00e+00 1.657 0.000 302.00 328.00 3 4.3149e+00 2.7470e-03 2.0630e-02 -6.0000e+00 2.1876e-02 2.3212e-03 3.0524e-03 1.2117e-02 -6.0000e+00 2.3594e-02 3.1941e-03 1.7516e-03 5.8486e-03 -6.0000e+00 1.4043e-02 -3.2554e-03 7.9605e-04 1.5892e-03 -6.0000e+00 5.9078e-03 1.0319e-03 5.1003e-04 6.0586e-05 2.1244e-05 -6.0000e+00 4.3343e-04 1.3908e-02 0.0000e+00 12 9 1 12 37 1 99.64 22.86 0.21 0.01391 0.01774 11 5 1 5 0 1810.700 26.11 20.00 22.86 29.56 37.7 1099.87 -4853 5637 -7371 -1271 837 -947 6375 214 380 -2479 -189 -3699 -1023 2170 -879 -2816 969 3292 1912 -244 864 1355 -1100 840 233 2585 -1484 11 -142 1042 1470 674 -1339 -1154 1472 -1548 275 -63 -36 -1621 -409 -1820 -1840 -226 11 -1598 -456 -530 256 62 184 246 777 1176 642 1724 600 656 1288 1575 2148 881 116 149 -376 648 -51 1326 352 -25 -10 20 -833 308 -425 231 546 353 -71 -837 -397 -1674 -1217 -1148 -884 -777 -358 -988 -277 -311 207 407 1122 990 1007 459 714 -113 -588 -246 -676 -190 736 225 -576 -511 -505 -270 382 -19 -115 -94 -34 -426 29 348 954 657 -41 -491 -216 225 -126 371 65 128 1162 739 188 531 299 141 288 312 -214 -89 371 -355 -332 -246 -317 -471 -250 -1040 1144 -1626 -249 151 -176 1200 47 87 -592 -45 -952 -283 646 -290 -988 340 1166 705 -93 330 518 -440 345 99 1094 -632 5 -55 404 595 290 -603 -516 629 -686 131 -34 -21 -1065 -280 -1288 -1320 -161 8 -1138 -318 -364 173 42 131 182 593 919 512 1391 490 534 1035 1271 1770 765 106 139 -348 568 -43 1109 311 -24 -10 21 -841 302 -400 204 456 289 -60 -763 -384 -1723 -1299 -1265 -1010 -922 -438 -1231 -342 -377 240 446 1170 1019 1069 516 849 -142 -762 -316 -842 -226 854 267 -713 -656 -665 -364 527 -27 -169 -138 -48 -592 38 446 1216 858 -56 -692 -309 321 -178 511 87 167 1469 936 245 718 416 199 412 456 -321 -138 584 -566 -531 -392 -497 -724 -379 SS 20240629T135552.0Z 8946.580463 341 1 48.63 2 42.04 100.35 48.22 235.47 0.00 1 0.00 1 0 17 1.352e-01 6.687e-02 6.291e-03 3.203e-03 1.916814e-01 1.702216e-03 2.637701e-03 -6.000000e+00 8.139398e-02 232.90 -2.00 3.51 -2.00 316.01 0.00e+00 1.081047e-02 1.815105e-04 9.256468e-04 -6.000000e+00 3.643169e-03 288.14 -2.00 20.00 -2.00 315.26 0.00e+00 1.345 0.000 302.00 328.00 3 6.1831e+00 4.4413e-03 1.8760e-02 -6.0000e+00 2.0417e-01 1.0718e-01 4.9228e-03 1.9572e-02 -6.0000e+00 2.2062e-01 -1.0079e-01 2.7914e-03 6.2127e-03 -6.0000e+00 1.3133e-01 5.6839e-02 1.2700e-03 8.9148e-03 -6.0000e+00 5.4879e-02 2.1778e-04 -4.5913e-03 9.8642e-05 7.6043e-05 -6.0000e+00 4.0719e-03 5.4921e-02 0.0000e+00 12 9 8 11 12 0 99.98 22.86 0.68 0.05492 0.02042 13 2 1 5 0 3740.260 26.21 19.98 22.86 29.85 37.8 1100.00 31694 66967 27970 35585 46533 27639 41639 18834 12816 -654 4819 3708 7803 26439 17654 12946 -78755 34462 25245 19182 18949 17153 4005 5029 -2134 9649 -3552 -2607 3530 7594 14726 9428 8794 8006 19907 2933 690 4576 2439 -4160 -1809 -5140 -3639 -835 4782 530 7286 5582 6750 3832 2919 1333 7192 3865 849 1616 -2314 -1058 -2213 -911 2203 637 -1649 2356 -769 3440 -804 1404 403 -921 -50 557 -2827 -361 -3306 -1294 618 -1703 -1165 -2532 1199 -2038 -718 -2458 -686 -3143 -1143 -2008 -508 -827 -1444 -856 -636 -537 -74 -515 218 1341 1291 1203 398 236 2088 774 6 106 -402 389 3138 1788 -194 1711 550 -813 -196 978 2191 1325 1424 -115 -15048 2034 2589 507 941 -776 684 307 694 2162 2364 1721 1278 1708 459 1097 712 -65 -1184 -435 -1456 -721 -1608 7288 11579 6645 7224 7750 5249 7105 4128 2996 -169 1181 989 2288 7514 5975 4827 -63196 11329 9195 7422 7297 6546 1684 2089 -939 3815 -1531 -1078 1362 2904 5627 4011 3883 3498 7540 1287 334 2406 1453 -2807 -1254 -3765 -2697 -612 3401 389 5002 3803 4490 2626 2078 1001 5312 2990 675 1287 -1883 -847 -1783 -740 1819 564 -1563 2219 -728 2981 -679 1154 351 -872 -49 560 -2891 -352 -3121 -1121 493 -1354 -960 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