File name: Pandora64s1_NewHavenCT_20241106_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241107T044114.6Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241106_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: 20241106 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 20241106T121139.0Z 9076.508090 62 1 48.18 2 83.68 118.12 135.41 90.70 0.00 1 0.00 1 0 25 6.038e-01 3.729e-02 2.169e-01 8.900e-03 7.074240e-01 5.048579e-03 1.087034e-02 -6.000000e+00 3.594591e-01 223.87 -2.00 3.52 -2.00 321.67 0.00e+00 4.996009e-02 2.466386e-03 2.429694e-03 -6.000000e+00 1.599335e-02 281.20 -2.00 20.00 -2.00 321.17 0.00e+00 8.187 0.010 302.00 328.00 3 5.3706e-01 1.7522e-02 9.4754e-02 -6.0000e+00 8.8527e-01 1.1882e+00 2.0259e-02 7.7773e-02 -6.0000e+00 9.6025e-01 -1.4600e+00 1.4106e-02 2.3821e-02 -6.0000e+00 5.7322e-01 6.0336e-01 7.2203e-03 4.0421e-02 -6.0000e+00 2.4510e-01 3.7162e-05 -4.3811e-03 2.5769e-04 6.8108e-04 -6.0000e+00 1.7935e-02 -1.1039e-03 -1.4596e-04 12 8 8 10 0 0 -16.82 21.50 0.11 -0.00110 -0.03403 45 11 1 5 0 1070.430 25.90 19.99 21.50 23.45 40.1 1011.03 78875 129772 305698 119786 -123652 68833 18982 666 21102 -9556 -30642 9973 9488 24816 71663 111436 114227 155544 79500 268372 95704 213537 136957 119354 629 79124 -16361 -1548 29964 -36620 35494 72538 40578 132200 51128 82348 58601 98257 30726 89659 40114 63193 23935 24233 40111 71922 85409 71308 47006 29974 61933 44031 76952 37427 36792 15988 11752 11142 17369 13840 22301 20394 30466 17257 42708 19570 21980 19803 20837 9959 15087 8526 10608 -3327 -381 -6919 11850 -15208 -2213 410 2371 -2655 233 -7443 -2637 -8195 -850 -4266 2469 -2177 -2506 -6654 -7865 -12312 -6040 -3855 -4211 -1316 1339 695 472 -1161 -4896 -3336 -2270 -5553 -3795 -83 -2187 -886 -641 -2311 -766 -818 -1321 -1569 -44 889 1526 3573 2276 3988 2530 4454 3131 3602 -423 2715 731 1372 1277 1200 -15 71 -196 96 -1032 57 -29 -285 -1514 -2460 2567 2815 2653 2534 -21221 1531 535 18 415 -221 -781 225 298 969 2332 3159 3502 3419 3536 2329 3377 2118 2298 1933 26 1465 -719 -61 1057 -2959 1829 3273 2663 3671 2662 3192 2915 3410 2066 3734 2632 3427 2077 2234 3372 4720 5188 5298 4640 3690 5979 5397 7011 4852 4889 2334 1704 1547 2374 1936 3165 3394 5272 3832 7608 4285 4723 4427 5031 2969 4444 2677 3086 -1022 -102 -1815 2547 -4627 -705 145 947 -1254 114 -4112 -1475 -5084 -511 -2705 1458 -1291 -1393 -3667 -4326 -7650 -4112 -2894 -3730 -1305 1385 712 452 -1015 -4123 -2837 -2044 -5422 -3942 -90 -2747 -1180 -940 -3596 -1171 -1214 -1898 -2234 -65 1356 2454 5752 3628 6004 3759 6266 4339 5132 -593 4051 1279 2681 2616 2622 -36 176 -497 250 -2759 153 -76 -717 -3816 -5919 SS 20241106T122201.3Z 9076.515292 65 1 48.52 2 81.97 119.95 133.55 92.29 0.00 1 0.00 1 0 25 4.018e-01 1.605e-02 8.128e-02 3.111e-03 6.362202e-01 1.733486e-03 7.891245e-03 -6.000000e+00 2.393006e-01 223.87 -2.00 3.52 -2.00 321.18 0.00e+00 9.161200e-03 8.159751e-04 4.020589e-03 -6.000000e+00 1.064476e-02 281.20 -2.00 20.00 -2.00 320.64 0.00e+00 6.699 0.005 302.00 328.00 3 7.1449e-01 5.7908e-03 7.5790e-02 -6.0000e+00 5.8935e-01 2.4076e-01 7.5224e-03 3.7402e-02 -6.0000e+00 6.3920e-01 -3.2016e-01 7.0080e-03 2.2722e-02 -6.0000e+00 3.8157e-01 1.3073e-01 3.3785e-03 9.7076e-03 -6.0000e+00 1.6321e-01 1.8406e-04 -1.4513e-03 9.4853e-05 1.7364e-04 -6.0000e+00 1.1938e-02 -1.9041e-03 -1.0226e-04 12 9 8 11 8 0 26.61 21.49 0.21 -0.00190 -0.01281 118 28 1 5 0 411.160 25.90 20.00 21.49 24.12 39.9 1013.54 -104518 -130961 -60446 -140504 -248992 -141327 -94017 -139826 -76242 -93135 -110357 -103553 -36575 -66306 -31822 -1478 -28163 -4144 -21830 -8506 -37463 11562 4667 -5640 -39996 -14214 -37458 8021 -34765 -28362 -21870 4464 -5106 8653 -7337 1696 -6250 19211 -577 13606 3678 15587 4337 10354 4730 14232 8647 18532 6394 7775 9450 17137 10948 12311 9148 9503 2295 5597 3775 7871 3449 6872 7962 6345 8046 3468 5506 5110 4293 5464 3133 2378 867 243 -542 -2832 1260 -4091 -1205 -63 -791 -2419 -2210 -3125 -1312 -2222 -270 -1488 1512 -250 -612 -1656 -2219 -2782 -458 -1047 -871 63 727 -1200 -217 -2140 -2630 -782 -414 -2295 -516 -710 -375 339 979 10 416 -139 -54 -547 593 34 1154 888 396 433 1510 818 1388 1066 -1006 539 1038 630 486 -367 -627 -318 300 -276 -407 435 136 -167 -372 -864 -1268 -2095 -550 -2403 -11674 -2487 -1084 -2507 -856 -1300 -1942 -2073 -488 -1529 -647 -26 -718 -92 -609 -217 -1157 239 108 -151 -1412 -440 -1333 197 -1246 -1095 -959 174 -249 375 -356 79 -355 996 -43 1021 332 1328 437 1005 501 1417 940 1917 786 1023 1368 2524 1857 2029 1607 1713 450 1044 706 1441 707 1529 1977 1768 2240 989 1574 1537 1471 2083 1300 1013 362 96 -196 -963 404 -1468 -488 -30 -398 -1399 -1369 -2077 -921 -1663 -207 -1170 1143 -183 -422 -1103 -1474 -2003 -368 -979 -864 70 836 -1368 -228 -2091 -2466 -756 -426 -2525 -600 -895 -523 487 1519 16 660 -213 -79 -793 877 53 1881 1478 649 685 2305 1208 1982 1592 -1526 821 1777 1197 942 -757 -1374 -740 697 -666 -1002 1076 332 -389 -878 -1960 SS 20241106T123251.8Z 9076.522821 68 1 48.31 2 80.23 121.91 131.61 93.90 0.00 1 0.00 1 0 25 2.751e-01 8.496e-03 3.625e-02 1.497e-03 5.575423e-01 8.142066e-04 6.506926e-03 -6.000000e+00 1.638384e-01 223.87 -2.00 3.52 -2.00 320.51 0.00e+00 2.802000e-03 3.223586e-04 8.956201e-04 -6.000000e+00 7.287632e-03 281.20 -2.00 20.00 -2.00 319.93 0.00e+00 5.628 0.003 302.00 328.00 3 6.2593e-01 2.5152e-03 6.2982e-02 -6.0000e+00 4.0350e-01 4.2977e-02 3.1772e-03 2.9595e-02 -6.0000e+00 4.3761e-01 -4.2288e-02 2.9364e-03 1.5732e-02 -6.0000e+00 2.6123e-01 9.6305e-03 1.4649e-03 5.5704e-03 -6.0000e+00 1.1175e-01 6.1966e-04 -9.7741e-04 4.6086e-05 7.1588e-05 -6.0000e+00 8.1727e-03 -2.2310e-03 -8.4346e-05 11 8 0 10 0 0 6.40 21.49 0.13 -0.00223 -0.00958 237 57 1 5 0 203.800 25.90 20.00 21.49 24.49 40.0 1015.75 -97081 -89836 -77813 -101351 -171122 -94044 -79651 -67026 -54820 -58371 -70719 -47777 -40503 -34115 -25830 -21699 -17598 -9603 -14022 -7027 -12570 -1393 -7566 -3845 -9933 12 -15336 -8889 -9241 -10997 -3631 3823 203 752 -4998 264 -1026 -170 2706 2444 592 2189 1502 1487 2151 3299 3845 3768 1686 1572 3147 588 3037 2851 1408 2020 1299 453 704 476 1202 1895 2369 2851 1956 -472 622 -611 1625 1611 653 573 -107 45 -261 -1810 -444 -2469 -853 -888 -1287 -1137 -1838 -2377 -321 -527 538 259 1134 390 398 128 -846 -430 597 379 -334 1041 748 -397 -288 -1675 -2085 160 199 -1560 -375 -740 -155 300 814 220 182 -10 -215 -257 498 -32 693 412 -166 -257 821 162 1004 657 -1287 281 791 249 492 -497 -587 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