File name: Pandora55s1_QueensNY_20240820_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240821T051535.1Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240820_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: 20240820 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 20240820T114808.2Z 8998.491762 241 1 50.27 2 72.75 88.62 99.54 262.91 0.00 1 0.00 1 0 25 2.184e-01 1.147e-02 7.414e-02 2.582e-03 4.518889e-01 1.375966e-03 5.267626e-03 -6.000000e+00 1.314562e-01 231.33 -2.00 3.51 -2.00 319.43 0.00e+00 1.968148e-03 3.842224e-04 2.261847e-04 -6.000000e+00 6.005307e-03 289.88 -2.00 20.00 -2.00 318.61 0.00e+00 3.322 0.001 302.00 328.00 3 3.5142e+00 3.9278e-03 4.0980e-02 -6.0000e+00 3.2831e-01 3.9193e-02 4.6332e-03 2.4135e-02 -6.0000e+00 3.5440e-01 -1.0763e-02 3.4626e-03 1.1720e-02 -6.0000e+00 2.1159e-01 -1.4162e-03 1.7960e-03 4.0022e-03 -6.0000e+00 8.9851e-02 3.2726e-04 -2.6930e-04 7.9661e-05 4.3588e-05 -6.0000e+00 6.5701e-03 1.4107e-02 0.0000e+00 12 9 8 11 4 0 99.94 22.53 0.30 0.01411 0.01208 56 11 1 5 0 897.520 26.21 20.00 22.53 23.47 37.7 1044.74 -52561 900000 -77965 -10016 -13249 -5133 202619 11111 -5954 -37254 -33383 -32163 -23833 57888 -7662 -22032 3197 35712 29729 -16796 5776 1977 -15909 -5290 -6565 41811 -3751 -7773 -21692 547 5340 1497 -7132 262 17743 -7401 -7398 4634 3603 -5109 283 -5158 -1473 -1208 6424 -4543 4793 2300 5297 -1133 142 -1991 6286 5496 1386 5192 1140 3319 -1136 1963 4147 1255 -2077 2084 -2537 2702 -258 690 2236 -257 339 7 -1464 1036 -750 926 3024 656 -473 -1509 1135 -1543 -1523 -2074 -845 -1712 -1112 -1397 -758 -530 -292 379 1378 1219 1209 -251 364 -451 -147 -410 -406 231 1130 438 -909 -360 -973 228 962 416 -1107 211 -148 -380 268 852 1546 319 -167 -1480 -438 137 734 -48 369 -132 1254 800 -86 598 359 815 363 522 -749 128 212 -498 -709 -366 -352 -175 248 -1625 900000 -3294 -217 -281 -104 648 240 -162 -1413 -1295 -1396 -1145 1573 -439 -1602 199 1765 1637 -1472 420 151 -1505 -486 -644 2704 -365 -766 -2422 53 556 181 -1009 35 1994 -1077 -1202 797 737 -1280 73 -1476 -422 -350 1763 -1385 1353 670 1539 -366 49 -753 2358 2196 596 2225 513 1462 -513 867 1874 627 -1158 1189 -1520 1500 -143 387 1344 -173 243 5 -1083 722 -497 561 1699 377 -294 -1060 865 -1306 -1368 -1960 -831 -1782 -1196 -1536 -828 -560 -294 357 1240 1108 1169 -268 423 -571 -194 -540 -514 273 1279 504 -1106 -456 -1281 311 1367 629 -1773 343 -240 -595 400 1227 2208 472 -258 -2384 -708 218 1141 -74 544 -189 1743 1127 -129 945 597 1397 639 949 -1425 251 423 -1008 -1444 -732 -686 -329 459 SS 20240820T121738.5Z 8998.512252 257 1 4.86 2 67.17 93.48 104.80 267.58 0.00 1 0.00 1 0 17 5.102e-02 9.115e-03 2.436e-02 5.499e-03 3.549653e-01 2.904414e-03 4.210875e-03 -6.000000e+00 3.072190e-02 231.33 -2.00 3.51 -2.00 317.79 0.00e+00 5.133830e-05 4.905455e-04 9.807886e-05 -6.000000e+00 1.384522e-03 289.88 -2.00 20.00 -2.00 316.92 0.00e+00 2.556 0.000 302.00 328.00 3 3.4661e+00 7.7955e-03 3.1684e-02 -6.0000e+00 7.6728e-02 3.6972e-02 8.7943e-03 1.8605e-02 -6.0000e+00 8.2810e-02 -1.1148e-02 5.4316e-03 9.0084e-03 -6.0000e+00 4.9411e-02 7.5795e-04 2.7283e-03 2.4590e-03 -6.0000e+00 2.0908e-02 8.1985e-04 1.4493e-04 1.6894e-04 3.0191e-05 -6.0000e+00 1.5345e-03 9.8760e-03 0.0000e+00 12 9 1 12 5 1 999.00 22.51 0.32 0.00988 0.01097 2 6 1 5 0 1616.030 26.21 19.97 22.51 24.06 37.6 1047.50 -20170 32383 -15383 -5796 -9160 -19445 24673 -138 3465 -10980 449 -10258 -1551 6913 -2165 -8446 663 5064 -635 -1038 -939 8854 -2693 1757 1085 5287 -3248 -2949 -737 100 5377 964 609 -3625 7492 -1721 982 -1986 1614 -1778 -532 -4003 -16 1073 1078 -1510 -1806 844 513 -892 -532 -327 1562 825 745 2226 909 -213 -127 1502 3093 1105 -740 -94 -863 1575 -354 2546 852 1536 -425 -158 -1312 576 328 467 963 777 1071 -29 1081 -1682 -1468 -1542 -1367 -1562 -1235 -925 -170 247 -49 429 436 1135 979 418 104 -473 -544 -453 -933 -125 605 -170 -974 -455 367 -288 228 -136 -366 690 177 -83 -195 811 1032 869 -444 -1048 -227 40 -251 589 265 310 1506 -496 376 879 746 872 182 18 182 -358 -110 -282 -520 -318 -10 -821 44 -1697 1777 -1298 -422 -648 -1545 1434 -11 296 -1105 42 -1161 -186 886 -339 -1505 115 889 -122 -206 -189 1660 -580 386 253 1208 -785 -683 -164 23 1261 256 171 -1060 1954 -494 304 -724 654 -818 -258 -2062 -8 547 553 -787 -937 428 263 -473 -296 -192 947 523 485 1470 610 -143 -85 996 2082 797 -572 -75 -692 1197 -264 1877 672 1297 -383 -145 -1209 510 278 370 721 577 829 -25 980 -1654 -1504 -1640 -1510 -1800 -1465 -1113 -203 288 -55 455 445 1147 1032 472 126 -609 -725 -601 -1200 -152 715 -205 -1223 -591 487 -396 322 -202 -560 1065 271 -123 -278 1115 1412 1216 -648 -1582 -346 60 -374 855 376 428 2016 -676 527 1287 1132 1352 287 29 304 -616 -193 -500 -928 -561 -17 -1390 74 SS 20240820T122734.1Z 8998.519145 260 1 50.48 2 65.29 95.16 106.58 269.16 0.00 1 0.00 1 0 25 1.100e-02 6.468e-03 1.131e-03 3.336e-04 3.339707e-01 1.759274e-04 3.983053e-03 -6.000000e+00 6.619412e-03 231.33 -2.00 3.51 -2.00 317.40 0.00e+00 3.400240e-05 2.672256e-05 1.217577e-04 -6.000000e+00 2.983833e-04 289.88 -2.00 20.00 -2.00 316.54 0.00e+00 2.376 0.000 302.00 328.00 3 8.7663e-01 4.6836e-04 2.9576e-02 -6.0000e+00 1.6532e-02 2.1274e-02 5.2637e-04 1.7482e-02 -6.0000e+00 1.7844e-02 -6.7070e-03 3.1518e-04 8.4688e-03 -6.0000e+00 1.0647e-02 -1.6317e-03 1.5468e-04 2.3256e-03 -6.0000e+00 4.5036e-03 1.3496e-02 1.3268e-04 1.0209e-05 2.8814e-05 -6.0000e+00 3.3072e-04 1.1924e-02 0.0000e+00 11 9 0 11 4 0 99.86 22.53 0.19 0.01192 0.01292 658 124 1 5 0 76.700 26.21 20.01 22.53 24.23 37.7 1049.15 -3637 -3083 -5899 -3160 -3380 -1296 -818 -1101 -2527 -1990 -291 -666 325 401 -259 -866 -255 635 764 -704 866 1015 483 306 37 -465 -1110 250 1074 1415 1260 1387 -1232 -984 87 -121 123 220 -607 -1251 -825 -1208 -837 -651 -342 -793 -526 -456 519 883 655 1002 838 782 594 935 279 766 891 1533 1411 1302 605 -599 -54 151 578 1327 879 32 -430 -743 -550 -836 -190 258 563 1382 326 81 -743 -1489 -1327 -1150 -1133 -832 -635 -532 -620 -152 336 503 1447 1562 1344 866 822 -331 -597 -432 -589 -9 725 48 -851 -405 -759 -145 -81 -119 -376 -285 -143 0 639 891 877 655 -79 -695 -507 -303 -344 104 154 474 1375 1185 506 552 34 328 199 274 -259 -208 113 -458 -496 -300 -234 -232 125 -360 -321 -621 -301 -303 -115 -80 -122 -307 -249 -37 -86 48 69 -51 -185 -53 138 173 -167 206 244 122 82 11 -136 -319 68 278 375 365 441 -400 -319 27 -39 44 88 -273 -644 -434 -667 -472 -369 -194 -450 -294 -252 285 499 397 617 551 540 404 651 198 537 616 1056 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