File name: Pandora55s1_QueensNY_20240731_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240801T051940.7Z 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_20240731_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: 20240731 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 20240731T111011.7Z 8978.465414 208 1 50.49 2 76.76 77.42 33.06 101.47 0.00 1 0.00 1 0 25 2.200e-01 8.176e-03 5.365e-02 1.755e-03 5.778717e-01 9.561173e-04 6.594802e-03 -6.000000e+00 1.338652e-01 232.30 -2.00 3.51 -2.00 320.19 0.00e+00 3.030863e-03 3.512532e-04 5.295680e-04 -6.000000e+00 6.053670e-03 289.97 -2.00 20.00 -2.00 319.45 0.00e+00 4.254 0.001 302.00 328.00 3 1.8609e+00 2.9140e-03 5.2736e-02 -6.0000e+00 3.3545e-01 1.6136e-02 3.6377e-03 3.1626e-02 -6.0000e+00 3.6212e-01 -2.6801e-03 3.1657e-03 1.5481e-02 -6.0000e+00 2.1502e-01 -1.0278e-02 1.5987e-03 6.4650e-03 -6.0000e+00 9.0711e-02 6.1646e-04 -7.0868e-05 5.2304e-05 6.1520e-05 -6.0000e+00 6.7303e-03 1.4673e-02 0.0000e+00 11 9 0 11 4 0 94.22 22.40 0.23 0.01467 0.01414 95 18 1 5 0 531.300 26.21 20.00 22.40 30.74 38.0 1091.97 -77716 900000 -112912 -37978 4911 -94221 900000 -34515 -45319 -79791 -49194 -57851 -35887 87553 -10656 -24245 -30236 67177 15872 -22068 -3222 5378 -30675 -9502 -9974 42668 -1237 -16196 -20645 -3331 8522 1363 -5708 560 15812 -5282 -10269 4333 2420 -2821 -593 -5826 -5148 -413 4851 -3688 3704 1973 4901 -326 2456 -2868 6226 3508 1287 1554 1463 1467 -938 1618 3364 1360 -1307 1792 -1606 3483 -169 2183 1299 279 5 66 -1306 775 -80 1081 3135 517 17 -1516 402 -1537 -1291 -1621 -1146 -1612 -933 -746 -303 655 56 736 1320 1345 1050 628 579 -128 -409 -343 -462 124 1331 -47 -1054 -695 -1142 22 306 187 -833 -30 -277 -114 503 1024 1028 412 -422 -815 -494 -1 75 -117 6 -143 1545 804 198 398 191 380 248 231 -387 -61 148 -383 -587 -151 -255 71 268 -850 900000 -1942 -311 26 -1325 900000 -352 -560 -1459 -739 -1116 -702 670 -246 -724 -1057 1039 425 -877 -111 175 -1482 -408 -460 1252 -55 -812 -1109 -168 450 89 -437 42 1013 -426 -982 432 292 -409 -93 -1014 -926 -73 835 -699 673 375 950 -71 570 -766 1658 1023 400 501 479 479 -309 525 1125 507 -548 789 -744 1520 -75 993 650 155 3 40 -803 448 -44 540 1477 254 9 -937 273 -1164 -1039 -1375 -1017 -1504 -901 -733 -295 616 51 628 1095 1142 961 636 647 -155 -523 -438 -567 142 1456 -52 -1231 -846 -1446 29 424 277 -1314 -49 -448 -180 763 1506 1518 627 -670 -1332 -809 -1 117 -179 9 -209 2187 1167 307 659 334 690 465 448 -781 -127 313 -824 -1265 -320 -526 141 524 SS 20240731T112114.1Z 8978.473079 211 1 50.32 2 74.71 79.11 31.07 103.90 0.00 1 0.00 1 0 25 2.270e-01 1.214e-02 5.976e-02 2.614e-03 5.055632e-01 1.412354e-03 5.805410e-03 -6.000000e+00 1.381002e-01 232.30 -2.00 3.51 -2.00 319.88 0.00e+00 2.494386e-03 4.601799e-04 2.340551e-04 -6.000000e+00 6.246470e-03 289.97 -2.00 20.00 -2.00 319.10 0.00e+00 3.720 0.001 302.00 328.00 3 3.1291e+00 4.1779e-03 4.5970e-02 -6.0000e+00 3.4606e-01 1.9296e-02 5.0613e-03 2.7119e-02 -6.0000e+00 3.7361e-01 -1.6653e-02 4.0784e-03 1.3342e-02 -6.0000e+00 2.2183e-01 1.0731e-03 2.0865e-03 4.9281e-03 -6.0000e+00 9.3562e-02 3.1211e-04 -1.2852e-04 8.0331e-05 5.1804e-05 -6.0000e+00 6.9451e-03 1.6132e-02 0.0000e+00 12 9 8 11 4 0 99.91 22.41 0.26 0.01613 0.01517 53 10 1 5 0 949.180 26.21 20.02 22.41 31.60 37.9 1095.75 -103918 900000 -117184 42009 50942 -50934 900000 9329 -3751 -77180 -26721 -61771 7368 64058 4621 -31635 1205 78742 52564 -17001 -761 14054 -32192 6943 -15089 89577 -12950 -3524 -24886 -1123 13017 568 -1031 -1185 34034 -10602 -8429 3833 9444 -5314 4123 -8098 -3836 -615 9049 -3855 3474 3923 6814 2490 -578 -3372 7520 6719 2269 3287 887 2839 74 1299 5286 449 -1893 1948 -2715 3793 -158 704 1177 243 746 1450 -2604 2424 -1623 1545 3578 728 -812 -2437 1507 -1995 -621 -2415 -344 -2211 -854 -1765 -131 -139 0 814 1726 691 1175 -239 151 91 -624 -474 -1105 250 1409 442 -374 -903 -1150 -189 855 -139 -813 -40 -181 -377 69 1048 1638 360 -241 -1056 -295 402 657 263 339 -416 1074 448 -40 938 491 639 339 435 -689 -52 260 -434 -640 -290 -309 -35 -9 -2932 900000 -4099 322 344 -920 900000 120 -59 -2529 -592 -2180 167 1047 153 -1642 50 1746 1577 -1001 -40 651 -2405 389 -1099 2572 -946 -232 -2014 -79 917 51 -102 -120 2465 -1195 -1048 506 1399 -1023 798 -1846 -874 -139 1901 -919 785 900 1579 635 -164 -1070 2326 2225 814 1209 338 1060 28 488 2010 193 -909 967 -1425 1829 -77 352 640 147 479 954 -1753 1499 -971 833 1806 381 -466 -1600 1065 -1586 -519 -2155 -318 -2173 -865 -1834 -134 -138 0 723 1471 603 1098 -247 172 112 -811 -615 -1376 290 1554 497 -442 -1123 -1483 -253 1200 -208 -1292 -65 -293 -592 104 1522 2369 540 -378 -1717 -481 642 1024 402 504 -603 1509 642 -62 1517 839 1130 617 818 -1356 -105 537 -908 -1349 -599 -622 -68 -17 SS 20240731T114608.3Z 8978.490374 224 1 50.38 2 70.05 82.95 26.66 110.23 0.00 1 0.00 1 0 25 2.615e-02 6.795e-03 5.975e-03 8.435e-04 4.025719e-01 4.468354e-04 4.724209e-03 -6.000000e+00 1.579250e-02 232.30 -2.00 3.51 -2.00 318.51 0.00e+00 6.035497e-04 9.356698e-05 1.961093e-04 -6.000000e+00 7.098061e-04 289.97 -2.00 20.00 -2.00 317.66 0.00e+00 2.899 0.000 302.00 328.00 3 2.0219e+00 1.2258e-03 3.6065e-02 -6.0000e+00 3.9536e-02 1.7383e-02 1.3994e-03 2.1336e-02 -6.0000e+00 4.2647e-02 -9.4742e-03 9.3127e-04 1.0274e-02 -6.0000e+00 2.5426e-02 -9.7972e-04 4.8115e-04 2.9446e-03 -6.0000e+00 1.0730e-02 2.3558e-03 1.7085e-04 2.5932e-05 3.4233e-05 -6.0000e+00 7.8663e-04 1.3995e-02 0.0000e+00 11 9 0 11 4 0 99.99 22.43 0.25 0.01400 0.01528 196 37 1 5 0 256.960 26.21 20.00 22.43 31.87 38.1 1097.21 -7562 3577 -9707 -7304 -3228 -9689 7099 -3463 -4254 -8538 -5473 -4206 -2677 4351 -1602 -2176 -15741 4791 2769 -218 396 1826 -957 -1078 -447 1658 -818 -1009 -641 851 2721 609 -766 -925 2405 -94 -702 895 -443 -1733 -1455 -1592 -1460 -740 121 -1342 -213 -216 977 553 578 447 1373 868 561 902 160 674 833 1442 1913 1375 345 -54 -72 985 628 1723 1088 252 -481 -642 -680 -628 -98 366 1175 1227 498 -207 -209 -1610 -1256 -1354 -998 -896 -607 -587 -477 104 189 793 1527 1712 1255 889 588 -463 -662 -558 -630 -1 809 -121 -878 -623 -843 -192 -11 -157 -560 -280 -134 -20 577 958 957 691 -83 -705 -488 -138 -289 97 148 346 1464 991 497 496 129 329 274 316 -259 -60 125 -457 -535 -300 -291 -142 81 -313 142 -437 -301 -130 -425 293 -168 -226 -494 -323 -275 -204 367 -165 -234 -2081 549 340 -29 53 244 -138 -167 -73 272 -135 -160 -100 137 479 123 -158 -193 503 -20 -166 250 -141 -639 -553 -638 -601 -306 50 -565 -88 -90 407 242 273 218 713 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