File name: Pandora177s1_WestportCT_20240404_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T174919.4Z 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_20240404_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: 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: 218 359 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 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 3.165e-02 1.331e-02 2.873e-02 7.307e-03 3.169956e-01 3.824573e-03 3.779581e-03 -6.000000e+00 1.887311e-02 227.78 -2.00 3.51 -2.00 317.62 0.00e+00 1.830896e-03 6.001716e-04 3.024875e-04 -6.000000e+00 8.182469e-04 279.16 -2.00 20.00 -2.00 316.98 0.00e+00 1.822 0.000 302.00 328.00 3 4.4621e+00 1.0116e-02 2.4597e-02 -6.0000e+00 4.6935e-02 4.2122e-02 1.1356e-02 1.6234e-02 -6.0000e+00 5.0776e-02 3.0294e-03 7.0684e-03 8.0979e-03 -6.0000e+00 3.0176e-02 -9.5164e-03 3.5709e-03 2.6271e-03 -6.0000e+00 1.2865e-02 6.3065e-04 -2.2268e-04 2.2194e-04 2.8401e-05 -6.0000e+00 9.3115e-04 7.2540e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.11 0.42 0.00725 0.00558 1 6 1 5 0 1842.550 26.51 20.01 23.11 6.67 23.2 910.82 -885 -7271 -6162 -4290 -11086 -6100 4938 2429 -16855 -2732 -7239 9631 -1546 4145 5991 -792 407 -2308 958 -2269 411 7315 5144 -4632 3060 540 2171 -2551 -6601 890 -15 7641 -549 -439 -5786 -4842 -5069 -1192 -148 -1652 -1495 -1035 2966 383 928 295 1368 -2287 -1958 1563 930 5663 313 1089 -141 -132 1451 -1959 348 -139 -366 2503 4314 1903 195 -1789 -1854 492 1840 1380 887 1344 2409 705 -849 -1656 -2914 -3310 -724 -3115 -3106 -2487 -3557 -2372 556 984 768 1387 1876 2360 -145 -492 -417 230 -866 -668 582 914 325 -209 -315 -1631 -1657 -644 -1435 -1333 -767 -434 537 1789 1529 1155 474 -103 -1257 -773 -119 80 1242 267 192 355 575 125 1418 -952 -363 890 -476 341 -995 -1578 -302 740 31 589 953 649 86 139 -475 -1696 -72 -680 -571 -365 -928 -475 372 211 -1929 -280 -790 956 -198 591 960 -140 75 -461 194 -490 88 1456 1074 -1128 728 135 520 -612 -1594 203 -4 1960 -163 -131 -1748 -1463 -1710 -435 -63 -770 -754 -545 1536 205 497 159 719 -1230 -1049 833 531 3319 195 703 -95 -91 991 -1370 234 -95 -262 1886 3295 1558 160 -1395 -1435 377 1456 1222 807 1248 2174 643 -723 -1347 -2219 -2515 -581 -2758 -2941 -2554 -3756 -2617 635 1141 936 1705 2255 2691 -164 -531 -423 235 -924 -791 725 1185 439 -276 -401 -1942 -2017 -778 -1867 -1754 -1050 -621 780 2737 2352 1781 730 -148 -1770 -1042 -161 114 1793 406 294 530 825 180 1920 -1307 -482 1206 -676 496 -1530 -2501 -471 1198 52 1010 1666 1150 153 239 -815 -2841 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 2.725e-02 1.124e-02 1.899e-02 3.514e-03 3.048294e-01 1.839183e-03 3.658491e-03 -6.000000e+00 1.624996e-02 227.79 -2.00 3.51 -2.00 318.47 0.00e+00 2.007295e-03 3.565806e-04 7.574230e-04 -6.000000e+00 7.044289e-04 279.16 -2.00 20.00 -2.00 317.81 0.00e+00 1.741 0.000 302.00 328.00 3 5.1449e+00 4.9537e-03 2.3593e-02 -6.0000e+00 4.0412e-02 4.8947e-02 5.6155e-03 1.5619e-02 -6.0000e+00 4.3716e-02 4.1040e-03 3.7122e-03 8.0620e-03 -6.0000e+00 2.5981e-02 -1.0331e-02 1.9139e-03 2.7303e-03 -6.0000e+00 1.1078e-02 3.5031e-04 2.9403e-04 1.1042e-04 2.9944e-05 -6.0000e+00 8.0157e-04 6.2291e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.11 0.36 0.00623 0.00844 35 8 1 5 0 1407.290 26.51 19.98 23.11 7.28 23.2 914.94 4046 -5377 -1457 -7606 1827 -2637 -8516 -4460 -16719 -11005 -6014 -3021 2239 -641 -1018 -3383 3795 -1176 72 1760 608 -5002 3402 4156 -1795 206 -2795 349 -3391 -1156 1893 2309 495 -2807 -5163 -2680 -3460 -2013 -1529 -1094 254 -389 560 -157 767 176 248 176 -41 1338 1573 1892 427 22 1432 436 1002 -517 459 -887 2329 2538 2968 2362 514 -1025 -1806 -658 1902 1124 1875 1337 17 974 -775 -1592 -2788 -3439 -2098 -1363 -2217 -2475 -2952 -1649 -56 623 1486 1801 1360 980 597 -1237 -1690 -1180 399 -493 1212 592 687 -419 -1839 -1862 -1324 -729 -1971 -1887 -1108 -421 1073 1018 1413 547 503 -121 -508 -583 197 -204 998 114 657 1065 982 580 745 -354 -359 641 -51 -310 -1068 -1367 -508 -196 363 -157 885 867 593 266 -492 -1840 214 -338 -88 -455 98 -145 -534 -301 -1383 -884 -467 -245 198 -69 -125 -464 512 -175 11 274 97 -842 540 691 -333 38 -521 60 -586 -199 342 459 107 -624 -1131 -579 -839 -572 -512 -412 102 -165 240 -68 333 76 106 74 -17 573 715 920 223 12 794 250 574 -298 257 -508 1356 1598 2012 1680 365 -689 -1154 -422 1305 864 1531 1123 15 766 -570 -1063 -1742 -2314 -1509 -1021 -1873 -2284 -2908 -1694 -60 710 1758 2154 1606 1106 624 -1202 -1550 -1089 392 -542 1456 777 933 -558 -2290 -2146 -1490 -854 -2497 -2519 -1534 -607 1622 1640 2355 916 804 -181 -707 -782 266 -291 1498 180 1039 1638 1457 829 1090 -497 -491 897 -78 -469 -1693 -2226 -848 -343 664 -300 1714 1697 1157 505 -901 -3299 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 2.501e-02 1.175e-02 1.147e-02 3.178e-03 2.781416e-01 1.663035e-03 3.368459e-03 -6.000000e+00 1.491578e-02 227.79 -2.00 3.51 -2.00 317.59 0.00e+00 1.436449e-03 2.553092e-04 5.664437e-04 -6.000000e+00 6.466254e-04 279.16 -2.00 20.00 -2.00 316.94 0.00e+00 1.598 0.000 302.00 328.00 3 4.9449e+00 4.3935e-03 2.1554e-02 -6.0000e+00 3.7094e-02 3.2550e-02 4.9311e-03 1.4179e-02 -6.0000e+00 4.0128e-02 3.3911e-03 3.0381e-03 7.0986e-03 -6.0000e+00 2.3848e-02 -7.0560e-03 1.5206e-03 2.1619e-03 -6.0000e+00 1.0168e-02 5.1932e-04 2.4870e-04 9.8121e-05 2.3459e-05 -6.0000e+00 7.3581e-04 6.6051e-03 0.0000e+00 12 9 9 12 1 1 99.92 23.09 0.32 0.00661 0.00847 8 6 1 5 0 2075.400 26.51 19.98 23.09 7.68 23.0 916.53 5087 -3507 -1 -1996 -8361 -7013 -2520 -4961 -8752 -8517 -8433 -5288 -5989 1702 283 -279 708 1879 2373 362 -84 599 5086 2723 2498 2740 -2692 -3513 -5155 -1923 959 2729 1297 -2006 -3401 -5595 -4879 -3021 -990 -1017 -89 -403 2020 1622 698 907 -690 -1034 -523 342 1435 984 1845 1623 1595 1818 158 -765 -375 -707 1189 2422 2745 2394 392 -906 -1734 26 2116 1727 1076 1200 535 432 295 -2012 -2902 -2924 -1765 -3006 -2681 -2329 -2666 -1174 -312 152 1405 1535 1694 1100 219 -728 -1664 -884 -559 -451 214 1217 278 -703 -1360 -2257 -767 -776 -1616 -1493 -874 -542 1156 1692 1574 852 225 -377 54 -603 88 415 987 426 744 1034 814 809 644 -355 -1011 663 104 -724 -802 -1401 -557 190 241 246 477 613 689 -212 -654 -1364 419 -338 0 -187 -766 -619 -229 -519 -1031 -1026 -1025 -664 -863 264 50 -54 143 391 510 82 -19 137 1136 657 636 707 -714 -893 -1278 -465 242 742 380 -604 -997 -1692 -1632 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