File name: Pandora177s1_WestportCT_20240404_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240807T185027.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240404_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240404 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20240404T133448.8Z 8860.565843 190 1 3.69 2 56.84 113.84 62.13 183.20 0.00 1 0.00 1 0 17 3.209e-02 1.234e-02 2.872e-02 7.308e-03 3.197237e-01 3.882832e-03 3.823228e-03 -6.000000e+00 1.940284e-02 227.78 -2.00 3.51 -2.00 317.58 0.00e+00 1.829671e-03 6.001020e-04 2.612562e-04 -6.000000e+00 8.405246e-04 279.16 -2.00 20.00 -2.00 316.93 0.00e+00 1.822 0.000 302.00 328.00 3 4.3582e+00 1.0259e-02 2.4714e-02 -6.0000e+00 4.8234e-02 3.7100e-02 1.1503e-02 1.6413e-02 -6.0000e+00 5.2163e-02 1.0341e-04 7.1504e-03 8.1743e-03 -6.0000e+00 3.1008e-02 -8.3911e-03 3.5925e-03 2.6243e-03 -6.0000e+00 1.3165e-02 6.9907e-04 -6.7426e-04 2.2924e-04 3.0096e-05 -6.0000e+00 9.7723e-04 6.9075e-02 -2.6395e-04 12 9 9 12 1 1 999.00 23.11 0.42 0.06908 0.06401 1 6 1 5 0 1842.550 26.51 20.01 23.11 6.67 23.2 910.82 -974 -7763 -7583 -5157 -11313 -5777 5443 2690 -17209 -3223 -6965 10793 -834 4746 6381 -659 471 -2349 911 -2559 299 7365 5194 -4569 2854 92 1431 -2731 -6353 1399 414 7682 -1030 -786 -5518 -3985 -4053 -410 166 -1719 -1607 -1178 2755 218 698 33 1151 -2297 -1725 1875 1200 5814 356 1035 -159 -239 1264 -2063 431 130 -57 2604 4075 1330 -309 -1777 -1372 1231 2285 1322 617 971 2048 326 -1130 -1599 -2430 -2586 -180 -2900 -3099 -2559 -3494 -2161 590 897 528 1064 1530 2075 -237 -245 137 831 -476 -523 524 557 -132 -461 -223 -1124 -1080 -452 -1597 -1425 -805 -368 513 1578 1159 840 376 75 -803 -224 277 220 1076 -39 -50 241 498 98 1463 -720 82 1163 -540 123 -1127 -1502 -142 817 -83 466 853 476 -82 95 -354 -1419 900000 -80 -690 -671 -443 -957 -455 415 236 -1993 -334 -769 1081 -102 645 974 -118 88 -477 187 -561 64 1488 1102 -1130 690 23 349 -665 -1558 324 105 2006 -312 -238 -1698 -1226 -1316 -152 72 -817 -827 -632 1456 120 382 18 618 -1262 -944 1021 701 3308 227 683 -110 -169 884 -1477 297 90 -40 1916 3190 1065 -259 -1421 -1037 923 1856 1147 577 926 1899 292 -944 -1273 -1811 -1924 -142 -2521 -3020 -2587 -3798 -2351 665 1029 636 1293 1820 2440 -264 -261 137 837 -524 -613 647 718 -178 -605 -281 -1384 -1303 -564 -2062 -1865 -1096 -525 742 2407 1780 1293 578 108 -1127 -302 376 314 1550 -59 -77 358 715 141 1977 -986 108 1572 -767 179 -1734 -2384 -222 1326 -139 802 1500 849 -147 165 -589 -2387 900000 SS 20240404T134513.0Z 8860.573067 193 1 49.26 2 55.06 116.11 62.25 185.88 0.00 1 0.00 1 0 17 2.752e-02 1.018e-02 1.944e-02 3.445e-03 3.072863e-01 1.818947e-03 3.701041e-03 -6.000000e+00 1.666021e-02 227.79 -2.00 3.51 -2.00 318.44 0.00e+00 2.107731e-03 3.550503e-04 7.299969e-04 -6.000000e+00 7.210418e-04 279.16 -2.00 20.00 -2.00 317.79 0.00e+00 1.741 0.000 302.00 328.00 3 5.0407e+00 4.8949e-03 2.3696e-02 -6.0000e+00 4.1417e-02 4.3961e-02 5.5498e-03 1.5775e-02 -6.0000e+00 4.4774e-02 1.5803e-03 3.6780e-03 8.1603e-03 -6.0000e+00 2.6615e-02 -9.5263e-03 1.8964e-03 2.8770e-03 -6.0000e+00 1.1312e-02 3.8826e-04 9.1888e-04 1.1147e-04 3.1392e-05 -6.0000e+00 8.3766e-04 6.5832e-02 -7.2959e-05 12 8 8 10 0 0 99.98 23.11 0.36 0.06583 0.07274 35 8 1 5 0 1407.290 26.51 19.98 23.11 7.28 23.2 914.94 3829 -6134 -2182 -8444 1737 -2277 -8355 -4624 -17326 -11618 -6038 -2522 2871 -413 -1031 -3489 3821 -1140 -9 1589 509 -4933 3404 3988 -2128 -389 -3506 175 -3276 -775 2138 2382 94 -3274 -4842 -1926 -2590 -1479 -1473 -1307 3 -571 351 -309 574 -26 124 236 197 1669 1745 1971 405 -34 1368 323 842 -616 565 -618 2607 2632 2715 1856 126 -933 -1268 108 2282 1043 1597 995 -302 637 -976 -1451 -2294 -2696 -1558 -1178 -2242 -2533 -2858 -1435 6 539 1282 1524 1041 743 556 -966 -1101 -583 809 -328 1164 252 264 -650 -1717 -1323 -734 -522 -2108 -1962 -1103 -324 1083 834 1070 237 417 57 -60 -26 620 -30 859 -155 422 955 906 558 788 -118 125 965 -47 -473 -1154 -1254 -283 -74 315 -236 822 724 449 241 -366 -1544 900000 202 -383 -130 -503 86 -116 -487 -290 -1331 -866 -435 -190 236 -41 -118 -445 479 -158 -1 246 81 -829 539 662 -395 -72 -653 30 -566 -133 387 473 20 -730 -1062 -416 -629 -421 -494 -494 1 -242 151 -135 250 -12 53 100 83 717 797 963 213 -19 763 186 485 -356 319 -356 1529 1669 1855 1330 90 -633 -817 70 1580 809 1316 844 -255 506 -724 -979 -1449 -1703 -1052 -892 -1916 -2364 -2848 -1492 7 622 1536 1846 1245 850 590 -951 -1024 -546 805 -367 1418 335 363 -878 -2171 -1550 -839 -621 -2715 -2664 -1553 -476 1666 1275 1694 377 634 87 -86 -35 852 -43 1315 -250 681 1498 1372 814 1093 -157 162 1280 -67 -731 -1870 -2087 -482 -131 589 -430 1520 1352 836 468 -686 -2834 900000 SS 20240404T140731.6Z 8860.588561 206 1 18.68 2 51.37 121.29 62.79 191.58 0.00 1 0.00 1 0 17 2.434e-02 1.059e-02 1.188e-02 3.185e-03 2.808221e-01 1.693241e-03 3.388725e-03 -6.000000e+00 1.473700e-02 227.79 -2.00 3.51 -2.00 317.63 0.00e+00 1.467974e-03 2.630850e-04 5.775315e-04 -6.000000e+00 6.377730e-04 279.16 -2.00 20.00 -2.00 316.99 0.00e+00 1.598 0.000 302.00 328.00 3 4.8406e+00 4.4763e-03 2.1637e-02 -6.0000e+00 3.6636e-02 2.8078e-02 5.0205e-03 1.4295e-02 -6.0000e+00 3.9605e-02 4.8891e-04 3.1085e-03 7.1704e-03 -6.0000e+00 2.3543e-02 -6.1539e-03 1.5535e-03 2.2281e-03 -6.0000e+00 1.0006e-02 5.7545e-04 9.4439e-04 1.0136e-04 2.4432e-05 -6.0000e+00 7.4091e-04 6.5980e-02 -5.8362e-05 12 9 9 12 1 1 99.92 23.09 0.32 0.06598 0.07308 8 6 1 5 0 2075.400 26.51 19.98 23.09 7.68 23.0 916.53 4852 -4110 -935 -2729 -8535 -6579 -2248 -5087 -9081 -8950 -8236 -4792 -5596 2019 324 -514 707 1857 2303 179 -201 603 5104 2720 2219 2160 -3222 -3659 -5055 -1541 1234 2694 882 -2331 -3076 -4822 -4012 -2520 -926 -1216 -275 -559 1849 1464 540 661 -835 -1024 -311 630 1611 1073 1859 1576 1587 1738 13 -823 -272 -464 1453 2451 2466 1880 -23 -798 -1215 777 2493 1628 817 877 220 100 89 -1885 -2424 -2211 -1247 -2860 -2710 -2414 -2581 -980 -271 63 1167 1239 1356 840 174 -473 -1080 -312 -184 -321 125 869 -152 -925 -1222 -1726 -184 -613 -1781 -1585 -906 -474 1148 1496 1226 552 127 -208 518 -41 498 591 831 135 496 903 713 757 679 -145 -554 954 70 -900 -913 -1302 -350 314 180 154 403 454 526 -257 -554 -1107 900000 407 -403 -88 -244 -744 -552 -195 -507 -1015 -1025 -952 -573 -768 298 55 -95 136 368 472 39 -44 131 1088 626 539 533 -816 -888 -1198 -356 298 701 247 -671 -863 -1396 -1284 -942 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