File name: Pandora55s1_QueensNY_20230628_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230703T215439.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230628_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230628 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230628T130852.3Z 8579.547828 170 1 50.82 2 50.76 91.73 150.77 19.36 0.00 1 0.00 1 0 17 1.766e-02 8.028e-03 3.175e-03 1.505e-03 2.436150e-01 8.030035e-04 2.900289e-03 -6.000000e+00 1.069254e-02 232.90 -2.00 3.51 -2.00 316.32 0.00e+00 5.079844e-05 9.176968e-05 6.898437e-05 -6.000000e+00 4.753670e-04 287.95 -2.00 20.00 -2.00 315.53 0.00e+00 1.577 0.000 302.00 328.00 3 4.7453e+00 2.1073e-03 2.0419e-02 -6.0000e+00 2.6828e-02 3.9961e-03 2.3442e-03 1.2718e-02 -6.0000e+00 2.8934e-02 3.9870e-03 1.3490e-03 6.1475e-03 -6.0000e+00 1.7219e-02 -3.9430e-03 6.1999e-04 1.6763e-03 -6.0000e+00 7.2452e-03 7.0583e-04 2.1024e-04 4.6342e-05 2.2220e-05 -6.0000e+00 5.3138e-04 1.1855e-02 0.0000e+00 11 9 0 11 36 0 96.11 22.65 0.20 0.01185 0.01343 19 4 1 5 0 2674.320 26.00 19.99 22.65 30.98 35.5 1100.00 -6093 -2177 -8369 -947 2660 -442 8754 2887 -1893 -3394 -1387 -2392 -872 4604 -1121 -3377 -649 4318 2126 2802 1108 1421 -1314 -260 -592 3935 -1225 -281 -263 730 2373 1130 -3408 -1103 3186 -1343 -1382 1159 -151 -2127 -178 -1904 -1347 -1444 -663 -1752 399 -455 1274 628 -267 -69 2204 1387 896 2119 402 1545 980 1328 2253 884 -190 83 -1331 798 -418 1264 897 -468 27 11 -648 291 -534 444 -255 796 -399 -637 -417 -1203 -1150 -1755 -951 -1168 -730 -565 -204 -230 -108 373 1018 1034 1115 432 548 -340 -473 -360 -704 -61 1130 349 -306 -209 -823 175 530 367 -598 -5 -83 -361 313 638 838 407 -130 -935 -393 228 392 71 211 -59 1053 620 244 741 160 301 160 549 -370 329 86 -268 -526 -306 -391 -449 -134 -1182 -424 -1680 -167 425 -73 1450 555 -402 -743 -302 -555 -221 1238 -344 -1109 -215 1418 732 979 397 511 -495 -102 -240 1557 -493 -107 -97 268 904 462 -1490 -472 1283 -568 -637 593 -87 -1359 -118 -1313 -939 -1010 -462 -1217 270 -305 838 420 -186 -50 1635 1065 702 1680 324 1231 777 1055 1826 757 -171 77 -1226 693 -351 1048 781 -440 26 11 -651 284 -501 389 -212 644 -336 -576 -402 -1234 -1224 -1937 -1086 -1390 -895 -703 -252 -279 -125 409 1062 1063 1182 486 655 -430 -616 -466 -883 -72 1315 414 -379 -268 -1088 236 734 526 -884 -7 -121 -507 418 825 1076 536 -178 -1331 -567 327 554 98 285 -77 1339 790 320 1007 224 429 231 807 -563 512 136 -432 -852 -491 -619 -696 -205 SS 20230628T131446.7Z 8579.551930 173 1 49.82 2 49.64 92.73 150.41 22.07 0.00 1 0.00 1 0 17 2.135e-02 8.790e-03 3.713e-03 1.770e-03 2.388011e-01 9.441101e-04 2.847727e-03 -6.000000e+00 1.292599e-02 232.90 -2.00 3.51 -2.00 316.31 0.00e+00 -5.396019e-04 1.077418e-04 3.913175e-05 -6.000000e+00 5.746632e-04 287.95 -2.00 20.00 -2.00 315.52 0.00e+00 1.541 0.000 302.00 328.00 3 5.0554e+00 2.4774e-03 1.9989e-02 -6.0000e+00 3.2432e-02 6.2530e-03 2.7564e-03 1.2489e-02 -6.0000e+00 3.4977e-02 5.9823e-04 1.5874e-03 6.0363e-03 -6.0000e+00 2.0816e-02 -3.8120e-04 7.2882e-04 1.6669e-03 -6.0000e+00 8.7586e-03 5.4196e-04 4.0800e-04 5.4647e-05 2.1835e-05 -6.0000e+00 6.4238e-04 1.1871e-02 0.0000e+00 11 9 0 11 36 0 99.71 22.65 0.63 0.01187 0.01494 16 3 1 5 0 3113.420 26.00 19.99 22.65 31.51 35.5 1100.00 1972 228 -10791 -3372 1376 -4145 9070 1327 -2282 -6078 -979 -4560 -887 4103 -835 -4898 9264 4550 1805 3233 17 1267 -3156 529 -1005 5604 -1804 -980 -445 -699 1512 -234 -3698 -2214 2889 -2395 -1134 369 831 -1736 578 -2103 -1115 -1227 658 -1976 492 674 428 -313 -928 148 2152 1571 893 1849 726 1624 798 1153 2318 924 -390 -279 491 240 -817 885 859 -558 106 99 -1297 627 -546 8 1490 631 -676 -896 -236 -1594 -1205 -2256 -866 -1238 -177 86 -85 -246 -427 275 937 771 1030 201 469 -155 -271 -227 -573 -411 942 -27 -601 -381 -655 125 431 516 176 94 -147 -416 -81 548 913 498 -196 -818 -246 200 387 252 -320 -124 959 685 90 730 529 243 124 535 -312 292 10 -353 -247 -432 -405 -297 -251 361 44 -2224 -607 223 -714 1508 261 -492 -1377 -214 -1089 -226 1112 -257 -1634 2844 1491 622 1125 6 455 -1210 206 -411 2202 -731 -378 -164 -258 576 -96 -1611 -948 1156 -1015 -518 189 479 -1112 384 -1460 -780 -859 455 -1377 332 446 282 -210 -648 107 1594 1203 700 1468 585 1295 635 918 1879 791 -353 -258 447 209 -687 732 748 -524 104 100 -1310 611 -512 7 1220 509 -568 -809 -227 -1636 -1284 -2500 -991 -1479 -217 107 -105 -299 -498 301 976 792 1090 227 561 -196 -353 -293 -717 -492 1093 -32 -747 -490 -867 169 599 741 259 139 -215 -585 -108 707 1169 654 -269 -1165 -356 287 547 349 -432 -162 1218 870 118 989 739 345 179 786 -473 454 16 -569 -401 -695 -641 -459 -385 SS 20230628T132015.0Z 8579.555729 176 1 49.94 2 48.61 93.67 150.04 24.53 0.00 1 0.00 1 0 25 1.077e-02 6.777e-03 1.823e-03 9.695e-04 2.335601e-01 5.187314e-04 2.807521e-03 -6.000000e+00 6.515833e-03 232.90 -2.00 3.51 -2.00 315.99 0.00e+00 -9.135608e-05 5.495885e-05 5.546347e-05 -6.000000e+00 2.897637e-04 287.95 -2.00 20.00 -2.00 315.22 0.00e+00 1.510 0.000 302.00 328.00 3 3.9882e+00 1.3559e-03 1.9579e-02 -6.0000e+00 1.6348e-02 -7.5540e-04 1.5055e-03 1.2225e-02 -6.0000e+00 1.7634e-02 -2.7783e-04 8.6217e-04 5.9182e-03 -6.0000e+00 1.0494e-02 -1.7966e-03 3.8969e-04 1.6079e-03 -6.0000e+00 4.4135e-03 1.6447e-03 8.3787e-05 2.9857e-05 2.2110e-05 -6.0000e+00 3.2391e-04 1.4390e-02 0.0000e+00 11 9 0 11 4 0 90.85 22.65 0.18 0.01439 0.01502 44 8 1 5 0 1134.690 25.90 19.99 22.65 31.96 35.5 1100.00 -2971 677 -6109 -1731 -712 -15 4016 1310 -1452 -1319 -177 -501 468 1763 -540 -1474 864 1878 1141 518 1020 1283 -182 132 -262 1236 -1239 -191 580 1079 2031 834 -1940 -1172 1170 -191 50 560 -267 -1624 -843 -1616 -1096 -986 -36 -1432 -532 -495 638 195 261 238 922 994 810 1118 547 1006 958 1445 1554 1173 93 -737 -826 242 292 1567 963 -145 -99 -463 -605 -232 -262 358 815 1217 17 -302 -434 -1360 -1157 -1084 -1117 -824 -476 -656 -466 -181 208 313 1183 1390 1176 556 736 -258 -576 -433 -572 -111 951 99 -801 -238 -743 -12 201 63 -439 -124 -281 -116 252 802 855 594 -55 -771 -518 -45 -139 82 137 482 1324 801 336 671 144 356 333 347 -232 -198 215 -354 -473 -449 -281 -430 117 -665 152 -1414 -361 -139 -3 818 299 -358 -330 -44 -132 134 552 -186 -534 316 701 439 204 405 509 -75 56 -116 546 -545 -80 234 434 844 370 -905 -540 517 -86 25 307 -164 -1088 -589 -1162 -795 -717 -26 -1036 -377 -345 438 136 188 179 711 788 653 914 451 825 781 1179 1299 1025 86 -694 -770 214 249 1319 853 -137 -99 -470 -614 -230 -248 319 684 999 14 -275 -423 -1400 -1236 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