File name: Pandora159s1_Wakkerstroom_20210309_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T024432.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210309_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20210309 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20210309T042253.8Z 7738.182567 135 1 49.59 2 85.11 92.45 34.90 92.90 0.00 1 0.00 1 0 25 7.305e-01 7.154e-02 4.651e-01 2.704e-02 8.592615e-01 1.620884e-02 8.823765e-03 -6.000000e+00 4.390716e-01 227.43 -2.00 3.06 -2.00 322.40 0.00e+00 -2.049726e-02 9.311666e-03 4.130459e-03 -6.000000e+00 2.320605e-02 282.24 -2.00 20.00 -2.00 321.96 0.00e+00 10.024 0.006 302.00 328.00 3 1.0023e+00 6.6272e-02 1.0276e-01 -6.0000e+00 1.0935e+00 1.0249e+00 8.2740e-02 8.7604e-02 -6.0000e+00 1.2002e+00 -1.6403e+00 5.9942e-02 2.1268e-02 -6.0000e+00 7.1302e-01 6.8743e-01 2.9504e-02 2.2171e-02 -6.0000e+00 3.0537e-01 2.8740e-05 5.3681e-04 8.1182e-04 2.8238e-04 -6.0000e+00 2.0790e-02 2.8712e-03 12 8 8 10 0 0 20.61 19.39 0.65 0.00287 0.00691 38 8 4 8 0 1304.770 15.00 19.39 14.61 21.69 21.58 15.8 878.45 900000 78639 900000 -77978 900000 -127274 -37821 -33452 83678 900000 900000 -13678 -26077 900000 46638 900000 43047 900000 -64643 900000 -65245 900000 95031 33757 900000 55308 114704 -100977 71660 -58096 300300 900000 900000 195515 900000 188297 900000 404097 139444 94517 58079 900000 52383 81676 17203 900000 98229 900000 67997 900000 44908 99395 131404 39623 135366 40693 159500 19973 88393 37613 900000 33281 95960 20961 60284 39912 55228 27059 7031 126150 11323 45894 14975 65583 12059 43068 29327 40353 5516 18074 15565 -3866 15372 2259 3769 -3238 19879 -1768 17105 7714 27016 30315 13197 -2860 7869 5328 -8572 -1436 -8741 779 -2664 3586 -2261 12194 540 7199 -48972 1217 6851 -3473 2691 -5436 1834 -3476 5479 545 2666 672 221 -530 931 6036 2410 8645 2674 11413 2014 11976 3148 3996 -1121 1758 260 503 172 -3074 999 -1355 335 -2704 1657 -2449 724 900000 2065 900000 -4052 900000 -8525 -1179 -1165 2197 900000 900000 -478 -1105 900000 1225 900000 1181 900000 -4953 900000 -4611 900000 2495 1073 900000 1635 3012 -10847 1882 -3539 7885 900000 900000 5134 900000 4944 900000 10611 3662 2971 2857 900000 2732 3001 1104 900000 2639 900000 2546 900000 2499 3618 3805 3036 4385 3507 4464 2114 4480 2877 900000 2778 4875 2454 5026 3971 4752 3236 1154 7523 2231 6694 2862 7134 1968 4644 3403 4376 951 3290 3419 -1178 4304 768 1345 -1317 6774 -756 6018 2845 7759 8080 4152 -1136 3251 2637 -5649 -1017 -7252 592 -1957 2232 -1376 6577 354 4685 -58422 970 5824 -3757 3119 -7376 2387 -4709 6568 668 3257 883 309 -767 1303 7688 3075 10171 3251 12397 2354 13639 4548 6600 -2168 3575 572 1191 440 -8533 2713 -3811 915 -7263 3955 -5662 1575 SS 20210309T043648.6Z 7738.192229 138 1 51.23 2 82.02 90.86 31.89 91.50 0.00 1 0.00 1 0 25 4.391e-01 6.106e-03 2.406e-01 2.845e-03 7.196922e-01 1.555605e-03 6.918725e-03 -6.000000e+00 2.489696e-01 227.43 -2.00 3.06 -2.00 321.62 0.00e+00 4.695947e-03 8.404714e-04 2.165524e-03 -6.000000e+00 1.103043e-02 282.24 -2.00 20.00 -2.00 321.08 0.00e+00 6.749 0.002 302.00 328.00 3 4.1189e-01 5.6790e-03 6.6213e-02 -6.0000e+00 6.1830e-01 7.9143e-02 8.4642e-03 4.1595e-02 -6.0000e+00 6.7205e-01 -6.3294e-02 9.2697e-03 1.8802e-02 -6.0000e+00 4.0031e-01 1.1852e-02 4.2852e-03 9.2567e-03 -6.0000e+00 1.7005e-01 7.0045e-04 -9.3093e-04 7.9840e-05 7.9792e-05 -6.0000e+00 1.1741e-02 1.4259e-03 10 0 0 10 0 0 2.26 19.38 0.28 0.00143 -0.00557 244 52 2 8 0 201.770 14.99 19.38 16.15 21.69 21.58 15.9 886.40 -95283 -181718 -167306 -151295 -151542 -158478 -161175 32304 -166765 -15283 -128253 -75968 -133929 -25459 -77840 -53867 -53481 -5761 -33943 -48568 21986 -25606 9461 -27037 18174 -43387 14929 -40534 -34038 -26227 -29673 -1761 2165 -4653 -15477 15718 -9893 -3082 -9010 8874 -7451 5137 2486 3869 5064 -2973 1977 -2895 1763 1364 4617 -1779 7691 569 4909 -2656 2041 535 518 1087 -866 4387 1554 3731 -555 2663 1919 3092 1324 1548 -158 -190 41 -154 -1776 -1498 -303 -496 849 93 1045 -1284 -1423 -1096 -582 -522 -410 356 -313 359 357 879 894 1588 664 853 682 111 -447 -113 25 -19 822 53 -1575 -1554 -215 -1187 -174 -236 -489 -292 -242 364 341 1281 930 519 -85 -559 -700 3 -191 -244 575 150 1107 1439 159 -49 156 -51 219 130 -255 -516 98 35 -515 -46 131 116 293 -264 -1008 -882 -672 -631 -703 -805 90 -1157 -42 -712 -295 -1226 -106 -713 -478 -549 -42 -358 -633 146 -277 76 -345 161 -758 149 -697 -557 -444 -642 -36 50 -124 -406 331 -272 -96 -368 365 -410 271 143 227 301 -199 131 -212 131 111 411 -192 836 73 641 -393 297 79 74 153 -129 693 292 781 -129 594 429 713 349 472 -54 -68 14 -51 -542 -409 -77 -130 251 33 438 -634 -774 -631 -357 -340 -281 249 -220 241 223 513 505 931 446 670 574 108 -479 -121 25 -19 721 47 -1530 -1598 -230 -1264 -203 -311 -722 -460 -384 555 492 1760 1293 760 -133 -911 -1125 4 -281 -347 782 215 1521 2067 242 -85 300 -105 474 300 -635 -1354 262 94 -1398 -120 318 263 640 SS 20210309T044305.8Z 7738.196595 141 1 51.55 2 80.63 90.14 30.53 90.84 0.00 1 0.00 1 0 25 2.705e-01 5.872e-03 9.413e-02 1.600e-03 6.366376e-01 8.546056e-04 6.307213e-03 -6.000000e+00 1.533833e-01 227.43 -2.00 3.06 -2.00 321.19 0.00e+00 3.460574e-03 4.052535e-04 1.766226e-03 -6.000000e+00 6.795518e-03 282.24 -2.00 20.00 -2.00 320.61 0.00e+00 5.851 0.001 302.00 328.00 3 3.1027e-01 2.8863e-03 5.7171e-02 -6.0000e+00 3.8092e-01 4.6682e-02 3.9893e-03 3.4603e-02 -6.0000e+00 4.1403e-01 -2.8734e-02 4.1349e-03 1.5585e-02 -6.0000e+00 2.4662e-01 -3.6793e-05 1.9772e-03 6.9107e-03 -6.0000e+00 1.0476e-01 1.6848e-03 -8.3666e-04 4.5248e-05 5.9238e-05 -6.0000e+00 7.2332e-03 1.3529e-03 10 0 0 10 0 0 16.61 19.38 0.29 0.00135 -0.00493 399 86 2 8 0 123.010 14.99 19.38 16.96 21.69 21.58 16.0 892.23 -107648 -84469 -104361 -96145 -103459 -65137 -74393 -63256 -80704 -102994 -36006 -82719 -56157 -51670 -33147 -22109 -6473 -18295 -8402 -15656 -21882 -4119 -29010 -15345 -16638 -6525 -16042 -15509 -10222 -5569 -6907 -999 -1840 -5338 -1128 -5375 -250 -7137 -1072 -4261 -77 -2642 -652 699 1157 2670 1197 214 1252 3237 2157 3196 1585 1529 95 702 500 -549 613 355 2634 1012 2257 873 172 1196 1789 1557 2519 313 314 -133 -753 -417 -491 320 -295 954 795 400 -96 -825 -1984 -901 -1213 -876 -272 -421 71 -171 819 778 890 1242 1198 244 990 224 -469 -117 -99 -50 692 625 -1889 -814 -865 -574 -251 -96 -394 -347 -16 332 566 1148 944 400 -70 -971 -707 -116 -166 -302 551 185 1212 1564 186 69 182 84 26 279 -363 -489 8 -39 -521 -55 117 24 365 -554 -409 -668 -555 -597 -254 -348 -306 -529 -916 -174 -736 -491 -564 -383 -276 -79 -280 -127 -271 -417 -66 -629 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