File name: Pandora55s1_QueensNY_20220130_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T112801.8Z 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_20220130_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: 20220130 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 20220130T192434.5Z 8065.808733 249 1 43.85 2 66.24 215.63 84.06 227.03 0.00 1 0.00 1 0 25 2.051e-02 6.746e-03 1.570e-03 2.891e-04 4.189484e-01 1.482791e-04 5.043482e-03 -6.000000e+00 1.197608e-02 224.32 -2.00 3.51 -2.00 318.04 0.00e+00 2.278568e-04 2.625053e-05 1.793627e-04 -6.000000e+00 5.219726e-04 275.29 -2.00 20.00 -2.00 317.45 0.00e+00 2.464 0.000 302.00 328.00 3 2.7512e-01 3.9363e-04 3.2515e-02 -6.0000e+00 2.9564e-02 2.7196e-02 4.4575e-04 2.1258e-02 -6.0000e+00 3.2185e-02 -1.6694e-02 2.9112e-04 1.0616e-02 -6.0000e+00 1.9155e-02 1.6677e-03 1.4999e-04 3.0270e-03 -6.0000e+00 8.0242e-03 2.0029e-02 -1.1381e-03 8.6488e-06 3.7848e-05 -6.0000e+00 6.1191e-04 5.3679e-04 -4.4562e-07 11 8 0 10 0 0 98.05 22.70 0.22 0.00054 -0.00802 779 147 1 5 0 56.280 25.58 20.01 22.70 5.67 29.6 1013.85 -7974 -5821 -6804 -8768 -8219 -7475 -6621 -3845 -3488 -6323 -4612 -3288 -1304 -2529 -164 -1018 -1077 -999 -5 272 -621 709 872 510 63 -318 -1025 -1182 -40 1030 1561 1964 1337 -1390 -658 88 94 416 642 -622 -1258 -875 -1202 -878 -523 -252 -755 -377 -431 767 902 791 1211 956 913 759 954 273 639 846 1577 1332 1398 473 -639 180 235 874 1410 950 34 -393 -855 -649 -826 -258 381 810 1330 189 7 -896 -1631 -1384 -1148 -1221 -855 -688 -618 -645 -37 454 719 1567 1605 1338 902 708 -519 -623 -504 -532 193 771 -248 -930 -500 -791 -108 -95 -125 -417 -194 -2 170 851 975 915 446 -315 -779 -493 -316 -313 251 204 727 1589 1023 352 469 -17 352 198 181 -373 -224 69 -517 -483 -233 -160 -114 63 -412 -336 -420 -541 -470 -405 -370 -234 -239 -481 -360 -269 -109 -255 -19 -138 -160 -147 -1 44 -104 119 149 93 12 -66 -219 -247 -8 201 322 452 321 -366 -171 22 25 125 215 -251 -544 -408 -556 -414 -248 -120 -361 -179 -206 370 457 435 680 576 549 475 613 179 411 534 994 885 962 359 -494 137 179 639 1057 752 29 -345 -772 -574 -722 -215 287 596 980 147 6 -831 -1610 -1403 -1231 -1341 -957 -805 -736 -758 -43 488 740 1581 1644 1433 1046 858 -677 -827 -680 -693 238 902 -301 -1168 -638 -1064 -147 -134 -185 -639 -303 -3 252 1206 1361 1279 631 -475 -1195 -761 -477 -472 362 291 1018 2133 1409 510 714 -28 560 327 304 -646 -395 125 -927 -866 -417 -282 -192 107 SS 20220130T192944.3Z 8065.812319 252 1 7.87 2 66.81 216.82 84.74 227.91 0.00 1 0.00 1 0 25 2.087e-02 5.178e-03 6.696e-03 1.060e-03 4.213112e-01 5.437083e-04 5.055688e-03 -6.000000e+00 1.221673e-02 224.32 -2.00 3.51 -2.00 318.21 0.00e+00 2.323040e-04 1.018828e-04 1.384018e-04 -6.000000e+00 5.314528e-04 275.29 -2.00 20.00 -2.00 317.63 0.00e+00 2.520 0.000 302.00 328.00 3 1.0456e+00 1.4516e-03 3.3034e-02 -6.0000e+00 3.0161e-02 2.0692e-03 1.6455e-03 2.1401e-02 -6.0000e+00 3.2803e-02 -4.7307e-03 1.1037e-03 1.0702e-02 -6.0000e+00 1.9524e-02 -3.1251e-03 5.7555e-04 3.0734e-03 -6.0000e+00 8.2067e-03 8.8444e-03 -8.1155e-04 3.1753e-05 3.8042e-05 -6.0000e+00 6.2232e-04 -2.6428e-02 -2.8639e-04 12 1 1 12 1 1 98.84 22.70 0.21 -0.02643 -0.03253 69 81 1 5 0 109.760 25.58 20.00 22.70 5.64 29.5 1013.50 -5088 -5637 -5946 -8780 -7587 -7428 -11673 -1682 -4150 -1980 -7321 -2536 -4598 -3031 -98 -431 -1357 -842 22 -452 -364 -894 1655 -1331 -312 -336 378 -1376 -678 649 597 2636 874 -467 -557 -500 -1474 -801 -35 -558 -987 -754 -1508 -765 -504 -468 -323 -362 -108 280 665 458 1211 1078 1042 910 801 601 861 591 1358 1119 1480 649 444 586 57 187 500 625 532 -226 -291 -329 -368 -177 -128 86 527 -353 -205 -668 -1515 -1165 -1491 -1193 -862 -338 -161 -292 174 377 537 710 947 1081 963 707 -108 -56 -239 -389 -696 -156 -545 -664 -476 -664 -191 -112 13 15 135 154 72 374 302 435 324 -130 -406 -194 -176 -232 385 276 840 864 222 328 841 270 300 -140 -33 -355 46 83 -304 -289 6 -142 -196 -318 -215 -276 -311 -467 -373 -347 -588 -86 -246 -125 -466 -163 -342 -264 -10 -50 -177 -118 3 -65 -54 -135 249 -217 -54 -62 71 -258 -122 114 111 536 203 -110 -131 -124 -355 -217 -11 -201 -383 -318 -674 -349 -232 -217 -150 -168 -50 132 328 231 658 594 607 553 502 382 541 367 838 725 986 478 331 436 41 135 369 482 437 -193 -256 -285 -317 -147 -96 63 385 -269 -169 -600 -1456 -1201 -1566 -1277 -978 -385 -187 -337 199 419 551 717 961 1135 1089 866 -143 -75 -319 -505 -863 -182 -652 -847 -619 -876 -264 -161 19 24 214 239 110 550 422 605 468 -194 -633 -296 -272 -348 571 393 1176 1167 306 468 1259 422 489 -229 -55 -626 82 149 -555 -529 11 -250 -339 -538 SS 20220130T193509.5Z 8065.816082 255 1 49.60 2 67.44 218.04 85.47 228.83 0.00 1 0.00 1 0 17 8.286e-02 6.285e-03 1.857e-02 1.643e-03 4.322187e-01 8.441406e-04 5.102238e-03 -6.000000e+00 4.848666e-02 224.32 -2.00 3.51 -2.00 318.96 0.00e+00 5.327959e-04 1.984520e-04 2.261993e-04 -6.000000e+00 2.109615e-03 275.29 -2.00 20.00 -2.00 318.39 0.00e+00 2.585 0.000 302.00 328.00 3 3.4786e+00 2.3038e-03 3.3893e-02 -6.0000e+00 1.1970e-01 -1.4511e-02 2.6557e-03 2.2034e-02 -6.0000e+00 1.3020e-01 1.3650e-02 1.9850e-03 1.1056e-02 -6.0000e+00 7.7492e-02 -1.1025e-02 1.0473e-03 3.2570e-03 -6.0000e+00 3.2565e-02 7.2135e-04 -5.2256e-04 5.0203e-05 3.9348e-05 -6.0000e+00 2.4705e-03 -2.4386e-02 -2.6825e-04 10 0 0 10 0 0 99.98 22.70 0.26 -0.02439 -0.02831 94 18 1 5 0 527.580 25.58 19.99 22.70 5.84 29.6 1013.09 -26357 1395 61375 -36822 5972 -3190 -20629 19533 8050 -16538 -21749 -8742 -16774 -26665 16686 243 -10680 704 3050 8481 56 -1290 -559 -3654 -2919 -3564 9587 -2125 -3711 -7290 1670 4008 1032 -4704 1027 5119 -1560 -2692 2679 1580 -3279 382 -3173 -1142 -1705 1873 -2402 316 23 1751 285 29 498 2176 3273 412 2412 807 1653 -515 1514 1520 1903 -331 676 -517 659 233 269 621 -666 51 150 -616 340 -182 394 970 552 -762 -298 -436 -902 -1627 -1340 -906 -807 -110 -517 -241 -105 810 443 706 275 1069 399 603 -178 -217 -198 -671 -277 -14 -283 -610 -191 -526 -114 278 215 -100 237 174 -276 291 143 676 -83 -42 -539 -228 -3 32 361 55 493 504 131 19 718 231 429 -38 60 -296 114 321 -472 -30 16 -61 -351 -363 -781 37 993 -1450 151 -84 -659 481 247 -687 -993 -375 -879 -1807 900 17 -932 59 267 743 5 -130 -57 -405 -346 -449 1094 -266 -457 -925 207 543 160 -820 172 807 -271 -530 593 413 -1005 123 -1096 -398 -602 648 -863 112 8 630 109 12 218 994 1560 208 1233 422 855 -267 777 811 1088 -208 441 -342 417 145 170 424 -500 40 121 -494 260 -132 264 613 353 -525 -228 -365 -819 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