File name: Pandora55s1_QueensNY_20220520_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121308.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220520_L1_smca1c19d20211111p1-8.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: 20220520 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20220520T111305.7Z 8175.467427 229 1 49.36 2 73.18 77.77 72.55 208.81 0.00 1 0.00 1 0 25 8.029e-02 6.200e-03 1.825e-02 1.113e-03 4.982474e-01 5.887118e-04 5.802749e-03 -6.000000e+00 4.814140e-02 231.40 -2.00 3.51 -2.00 319.34 0.00e+00 1.220812e-03 1.581040e-04 4.673046e-04 -6.000000e+00 2.118926e-03 284.14 -2.00 20.00 -2.00 318.62 0.00e+00 3.402 0.001 302.00 328.00 3 1.8988e+00 1.6617e-03 4.3213e-02 -6.0000e+00 1.2049e-01 2.0088e-02 1.9444e-03 2.6618e-02 -6.0000e+00 1.3028e-01 -1.5792e-02 1.5007e-03 1.2852e-02 -6.0000e+00 7.7510e-02 -2.6840e-03 7.8100e-04 3.8013e-03 -6.0000e+00 3.2287e-02 1.4493e-03 -1.2047e-03 3.3327e-05 4.3433e-05 -6.0000e+00 2.4001e-03 -2.0222e-03 -2.2153e-05 10 0 0 10 0 0 97.38 21.88 0.19 -0.00202 -0.01107 121 23 1 5 0 407.870 25.68 20.00 21.88 22.07 31.9 1099.92 -25651 -7607 45365 -48079 -7859 -18541 -27535 13018 -4728 -16688 -26885 -15459 -22003 -7483 4231 -3204 -9286 -5613 7351 6291 1548 -2714 551 -6640 -1684 -5443 5328 -6483 -3657 -7340 -352 666 519 -4279 -1115 6130 -1357 -1377 1771 66 -2354 -321 -2655 -2124 -1583 1415 -1448 843 730 1869 953 733 252 1762 1262 710 1607 499 1357 314 1443 2385 1660 256 -121 -162 177 685 1442 847 -139 -110 -492 -720 -411 -404 502 986 1090 -87 16 -220 -1373 -1154 -1285 -989 -1046 -364 -644 -467 -6 448 852 1345 1275 1174 641 512 -412 -533 -331 -511 321 944 -204 -862 -470 -835 -10 3 -53 -543 -127 4 -45 663 872 814 422 -298 -679 -399 -216 -261 119 72 462 1344 732 178 278 -9 252 149 229 -284 -113 143 -421 -376 -184 -193 -8 175 -454 -132 516 -1295 -139 -350 -593 215 -104 -444 -826 -462 -809 -290 177 -167 -568 -360 450 411 109 -204 41 -563 -147 -520 474 -634 -341 -716 -35 74 66 -605 -155 788 -195 -223 331 15 -599 -87 -768 -629 -474 418 -442 255 224 588 320 265 99 726 550 322 747 236 635 146 672 1150 867 146 -73 -98 104 396 857 547 -98 -82 -375 -544 -297 -275 317 596 668 -58 12 -179 -1211 -1071 -1242 -999 -1100 -394 -707 -510 -7 452 818 1251 1209 1187 706 611 -529 -710 -438 -649 384 1092 -241 -1066 -602 -1105 -14 4 -81 -862 -204 7 -70 989 1268 1187 634 -464 -1089 -642 -342 -405 180 106 666 1891 1053 270 447 -14 436 264 418 -538 -220 283 -844 -754 -363 -371 -15 323 SS 20220520T111959.2Z 8175.472213 233 1 47.48 2 71.90 78.81 73.16 210.25 0.00 1 0.00 1 0 25 5.314e-02 6.206e-03 9.810e-03 8.792e-04 4.687657e-01 4.634612e-04 5.489260e-03 -6.000000e+00 3.186568e-02 231.40 -2.00 3.51 -2.00 318.99 0.00e+00 6.707933e-04 1.109129e-04 3.293909e-04 -6.000000e+00 1.402531e-03 284.14 -2.00 20.00 -2.00 318.25 0.00e+00 3.176 0.001 302.00 328.00 3 1.6722e+00 1.2882e-03 4.0410e-02 -6.0000e+00 7.9752e-02 1.6652e-02 1.4855e-03 2.4835e-02 -6.0000e+00 8.6233e-02 -1.8758e-02 1.0785e-03 1.2031e-02 -6.0000e+00 5.1305e-02 2.4657e-04 5.6158e-04 3.3744e-03 -6.0000e+00 2.1372e-02 2.3458e-03 -1.0924e-03 2.6494e-05 4.0198e-05 -6.0000e+00 1.5886e-03 -2.0684e-03 -1.2241e-05 12 1 1 12 1 1 98.24 21.86 0.22 -0.00207 -0.01028 156 31 1 5 0 301.260 25.68 19.97 21.86 22.36 32.1 1100.00 -17792 -18744 13001 -35653 -6504 -23383 -9702 -3360 -5918 -12498 -15464 -10760 -15793 -3153 -3519 -2226 -7225 282 2725 3225 -1140 8 -268 -2504 -31 -2791 3741 -4334 -752 -5138 2043 811 2813 -3319 -984 1778 -1251 684 710 717 -2545 -337 -2287 -950 -1393 490 -965 408 11 1031 1154 695 1027 1316 1444 374 1350 295 968 696 1554 1693 1275 663 -485 154 379 980 1255 849 -53 -385 -578 -733 -417 -438 492 787 1117 -13 186 -543 -1390 -1123 -1442 -907 -1018 -469 -660 -392 -115 473 641 1503 1390 1271 644 595 -395 -492 -314 -739 239 797 -115 -779 -421 -811 -127 -96 -135 -442 -121 90 -36 764 818 893 393 -264 -762 -365 -126 -217 87 12 600 1316 910 41 340 66 237 207 163 -304 -151 187 -488 -383 -194 -191 -78 203 -439 -509 292 -1214 -165 -637 -256 -94 -181 -445 -596 -426 -759 -162 -218 -150 -570 22 226 281 -108 1 -26 -267 -4 -344 441 -543 -88 -633 253 109 421 -570 -166 286 -217 134 159 192 -765 -108 -788 -332 -497 173 -349 146 4 383 435 287 442 608 707 193 684 153 494 367 817 898 746 412 -312 103 242 605 803 582 -39 -310 -462 -576 -320 -321 337 506 726 -9 143 -463 -1278 -1072 -1420 -948 -1098 -527 -736 -444 -124 490 636 1460 1335 1294 721 708 -511 -655 -411 -935 291 921 -138 -970 -538 -1094 -176 -139 -202 -691 -194 142 -55 1117 1177 1285 578 -404 -1221 -586 -197 -338 130 18 865 1825 1298 60 536 109 399 355 294 -557 -285 361 -962 -753 -372 -356 -143 369 SS 20220520T112540.8Z 8175.476167 236 1 48.28 2 70.84 79.67 73.68 211.42 0.00 1 0.00 1 0 25 3.185e-02 5.812e-03 6.970e-03 7.298e-04 4.460402e-01 3.846945e-04 5.245532e-03 -6.000000e+00 1.909685e-02 231.40 -2.00 3.51 -2.00 318.82 0.00e+00 7.245354e-04 8.731578e-05 2.687986e-04 -6.000000e+00 8.405148e-04 284.14 -2.00 20.00 -2.00 318.08 0.00e+00 3.011 0.000 302.00 328.00 3 1.5023e+00 1.0618e-03 3.8369e-02 -6.0000e+00 4.7795e-02 1.5654e-02 1.2171e-03 2.3604e-02 -6.0000e+00 5.1678e-02 -1.4524e-02 8.5656e-04 1.1434e-02 -6.0000e+00 3.0746e-02 -1.6505e-03 4.4535e-04 3.2104e-03 -6.0000e+00 1.2808e-02 3.3448e-03 -1.0844e-03 2.2072e-05 3.8119e-05 -6.0000e+00 9.5201e-04 -2.2640e-03 -1.3636e-05 10 0 0 10 0 0 96.69 21.83 0.19 -0.00226 -0.01041 248 47 1 5 0 194.620 25.68 20.01 21.83 22.66 32.1 1100.00 -9697 -4784 1635 -21031 -6037 -11595 -12563 -3123 -7225 -8162 -10234 -8225 -6521 -2858 1694 -293 -4332 -4572 1465 1175 377 849 814 -1293 -536 -1901 770 -3045 -1638 -2180 808 2276 1074 -3048 -886 1802 -301 61 1140 -144 -1567 -1064 -1990 -1221 -708 261 -890 -443 -95 978 900 796 864 1138 1003 607 1013 259 633 596 1174 1526 1423 504 -355 -68 393 705 1532 937 109 -216 -334 -603 -364 -255 392 939 1192 138 -75 -766 -1317 -1128 -1069 -988 -684 -508 -558 -392 11 373 626 1297 1367 1153 771 524 -488 -552 -456 -641 168 791 -164 -885 -503 -723 -158 27 -194 -408 -152 -8 29 740 841 889 468 -278 -749 -286 -281 -217 136 77 572 1219 909 262 425 14 254 194 174 -387 -123 123 -444 -385 -137 -184 -23 58 -265 -144 49 -782 -181 -353 -403 -103 -280 -346 -464 -391 -350 -165 112 -23 -391 -447 144 122 41 93 92 -158 -70 -250 101 -404 -222 -298 115 337 181 -576 -164 319 -57 13 275 -42 -496 -364 -724 -453 -265 98 -339 -168 -36 380 370 337 398 562 525 315 540 141 339 315 622 850 868 324 -244 -46 256 445 992 676 85 -173 -274 -488 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