File name: Pandora177s1_WestportCT_20240419_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T180859.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 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_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240419_L1_smca1c5d20230401p1-8.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: 20240419 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240419T123823.7Z 8875.526664 239 1 19.86 2 62.61 98.94 126.42 336.33 0.00 1 0.00 1 0 25 2.635e-02 1.151e-02 1.086e-02 2.237e-03 3.140337e-01 1.176826e-03 3.800253e-03 -6.000000e+00 1.578907e-02 228.99 -2.00 3.51 -2.00 318.15 0.00e+00 1.891644e-03 2.110817e-04 8.093297e-04 -6.000000e+00 6.858142e-04 280.77 -2.00 20.00 -2.00 317.47 0.00e+00 2.162 0.000 302.00 328.00 3 3.8169e+00 3.1542e-03 2.7209e-02 -6.0000e+00 3.9356e-02 3.3639e-02 3.5549e-03 1.6305e-02 -6.0000e+00 4.2524e-02 -2.8255e-03 2.2868e-03 8.2019e-03 -6.0000e+00 2.5272e-02 -7.0529e-03 1.1716e-03 2.5673e-03 -6.0000e+00 1.0766e-02 8.8132e-04 -1.7288e-05 6.9038e-05 2.8311e-05 -6.0000e+00 7.7545e-04 5.2091e-03 0.0000e+00 12 9 9 12 1 1 45.55 23.03 0.35 0.00521 0.00508 17 10 1 5 0 1103.020 26.41 20.02 23.03 14.76 23.8 965.98 7240 -5555 2160 -6069 -6072 -6489 -8410 -5246 -9411 -7690 -10448 -5710 -5414 -3001 -1507 167 1200 331 2047 2552 443 63 1417 1896 1570 -1173 -1779 -3522 -2116 329 14 2064 1181 -4029 -5222 -4999 -2782 -3583 631 -1461 -302 -403 203 565 1049 1330 -361 162 396 807 716 1210 1115 1332 835 1178 1042 -425 23 -253 2150 2366 3285 2214 -310 -1422 -1552 171 2119 1679 989 1364 837 711 -424 -2089 -2608 -3544 -2266 -2627 -1863 -2588 -2800 -1366 -45 746 1568 1645 1909 1199 200 -770 -2135 -842 -733 -196 530 1094 230 -533 -1515 -1977 -780 -211 -1912 -1687 -1490 -765 1302 1231 1379 876 652 -309 -379 -343 -48 353 1114 398 911 1032 1468 504 383 -449 -992 389 -185 -379 -1103 -1085 -536 60 254 18 779 660 547 -59 -484 -1363 425 -401 145 -413 -380 -399 -569 -387 -786 -651 -925 -519 -567 -361 -204 24 184 54 342 439 79 11 257 362 317 -249 -371 -714 -409 63 3 469 289 -1042 -1316 -1270 -771 -1083 217 -581 -129 -180 93 259 481 608 -166 73 178 372 352 637 624 777 505 726 649 -266 14 -157 1366 1628 2427 1730 -245 -1060 -1094 120 1605 1305 830 1170 711 574 -347 -1571 -1824 -2486 -1701 -2240 -1620 -2475 -2856 -1454 -50 884 1784 1900 2165 1416 220 -783 -2071 -815 -767 -227 626 1398 308 -698 -1854 -2437 -932 -262 -2387 -2218 -2046 -1095 1947 1965 2127 1356 1042 -464 -529 -462 -65 504 1682 632 1449 1603 2193 729 529 -596 -1395 514 -265 -585 -1790 -1804 -917 99 444 33 1445 1241 1023 -108 -851 -2335 SS 20240419T124323.2Z 8875.530129 242 1 26.57 2 61.68 99.84 126.80 337.73 0.00 1 0.00 1 0 25 2.350e-02 1.104e-02 5.080e-03 1.095e-03 3.053901e-01 5.744189e-04 3.658592e-03 -6.000000e+00 1.408381e-02 228.99 -2.00 3.51 -2.00 318.05 0.00e+00 1.864049e-03 1.009575e-04 6.967091e-04 -6.000000e+00 6.116900e-04 280.77 -2.00 20.00 -2.00 317.37 0.00e+00 2.098 0.000 302.00 328.00 3 2.8647e+00 1.5361e-03 2.6372e-02 -6.0000e+00 3.5106e-02 2.5722e-02 1.7321e-03 1.5743e-02 -6.0000e+00 3.7930e-02 -2.1187e-03 1.1053e-03 7.9278e-03 -6.0000e+00 2.2542e-02 -7.6336e-03 5.6500e-04 2.5227e-03 -6.0000e+00 9.6043e-03 2.4749e-03 8.4171e-05 3.3673e-05 2.7089e-05 -6.0000e+00 6.9162e-04 4.6345e-03 0.0000e+00 12 9 9 12 1 1 98.94 23.04 0.33 0.00463 0.00527 68 29 1 5 0 384.980 26.41 19.99 23.04 14.89 23.9 967.52 -1387 -528 -4138 -7853 -6224 -6962 -2343 -4870 -3096 -8879 -7728 -9680 -2860 -1526 -952 -158 -376 2454 1471 3059 350 1169 823 2347 1334 -1347 -1462 -3196 -1416 -2004 1466 1784 928 -3572 -6401 -4054 -4251 -714 -458 -340 -764 -388 523 223 1027 544 492 -274 -226 80 1622 1218 1292 1175 636 1674 213 92 -868 290 1472 2381 2934 2229 234 -1067 -1111 -757 1868 1147 1185 1666 842 1250 -556 -1625 -3251 -3400 -2218 -2313 -2170 -2343 -2521 -1542 -57 342 1515 1232 1633 1209 379 -972 -1887 -512 -652 -161 565 1346 416 -443 -1546 -2104 -610 -392 -1594 -1745 -912 -831 954 1308 1251 768 343 -91 -416 -249 -30 354 932 512 831 781 1223 593 886 -741 -622 458 -168 -471 -1015 -1213 -648 8 293 124 691 782 508 -148 -442 -1350 -94 -38 -311 -573 -411 -452 -157 -376 -255 -797 -697 -957 -304 -188 -133 -24 -61 403 254 539 64 213 154 458 278 -294 -312 -663 -279 -403 309 414 232 -934 -1657 -1035 -1212 -234 -177 -138 -338 -179 245 106 487 258 231 -128 -105 38 811 657 739 702 394 1049 137 58 -550 183 962 1673 2220 1657 174 -806 -792 -545 1438 925 1024 1471 738 1037 -463 -1234 -2320 -2412 -1684 -1987 -1946 -2298 -2635 -1583 -62 392 1800 1491 1940 1376 429 -1018 -1873 -506 -698 -179 692 1781 543 -602 -1964 -2489 -698 -469 -2063 -2390 -1219 -1165 1399 2038 2030 1250 536 -132 -602 -346 -42 492 1373 792 1292 1187 1787 837 1265 -1022 -834 627 -250 -708 -1601 -1964 -1078 13 506 223 1268 1452 940 -269 -770 -2293 SS 20240419T124830.1Z 8875.533682 245 1 49.06 2 60.73 100.78 127.15 339.18 0.00 1 0.00 1 0 25 2.329e-02 1.093e-02 7.077e-03 1.428e-03 2.965163e-01 7.543030e-04 3.582627e-03 -6.000000e+00 1.395449e-02 228.99 -2.00 3.51 -2.00 318.27 0.00e+00 1.840711e-03 1.382909e-04 7.555719e-04 -6.000000e+00 6.060506e-04 280.77 -2.00 20.00 -2.00 317.58 0.00e+00 2.036 0.000 302.00 328.00 3 3.6504e+00 2.0310e-03 2.5658e-02 -6.0000e+00 3.4784e-02 3.1106e-02 2.2945e-03 1.5393e-02 -6.0000e+00 3.7582e-02 5.2012e-04 1.4824e-03 7.7813e-03 -6.0000e+00 2.2335e-02 -8.6472e-03 7.5540e-04 2.4843e-03 -6.0000e+00 9.5164e-03 1.2102e-03 3.7157e-05 4.4954e-05 2.7751e-05 -6.0000e+00 6.8524e-04 4.3922e-03 0.0000e+00 12 8 8 10 0 0 99.69 23.05 0.40 0.00439 0.00467 76 17 1 5 0 645.370 26.41 19.99 23.05 15.13 23.9 969.13 -1438 -1140 -1377 -7560 -6951 -9107 -3298 -2624 -5747 -8411 -6170 -8259 -5745 -420 254 -477 -106 847 2168 1479 544 922 1502 1091 1083 -1231 -3330 -1799 -1712 -572 1355 1436 398 -3293 -5443 -5045 -3423 -1438 -528 -1103 -359 -95 383 720 1181 745 174 -272 -911 257 1400 1633 1364 1178 536 1527 162 -710 -139 62 1078 2570 3266 2353 -36 -1087 -1479 -894 1925 1510 1110 1326 770 1078 -569 -2127 -2437 -3433 -2076 -2645 -2319 -2710 -2627 -1654 -91 486 1328 1449 1632 1509 260 -760 -1577 -632 -378 -445 604 1345 476 -685 -1386 -2216 -777 -506 -1793 -1804 -1101 -628 961 1379 1267 767 534 -342 -412 -394 53 -29 1033 538 744 770 1129 515 503 -695 -679 517 -189 -338 -1013 -1284 -596 -89 159 84 748 802 564 -39 -449 -1309 -92 -78 -95 -518 -435 -568 -209 -186 -455 -704 -512 -750 -584 -47 32 -67 -16 130 342 243 92 155 257 198 207 -245 -662 -336 -308 -103 259 302 90 -775 -1259 -1173 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