File name: Pandora177s1_WestportCT_20240503_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T181148.6Z 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_20240503_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: 20240503 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 20240503T121726.4Z 8889.512111 178 1 47.62 2 63.30 91.83 53.20 167.40 0.00 1 0.00 1 0 17 8.528e-02 1.495e-02 7.104e-02 1.001e-02 3.113995e-01 5.299182e-03 3.891741e-03 -6.000000e+00 5.133191e-02 230.17 -2.00 3.51 -2.00 318.87 0.00e+00 2.667140e-03 1.168169e-03 1.402866e-03 -6.000000e+00 2.233757e-03 282.30 -2.00 20.00 -2.00 318.18 0.00e+00 2.213 0.000 302.00 328.00 3 5.9885e+00 1.4562e-02 2.7819e-02 -6.0000e+00 1.2825e-01 5.9206e-02 1.6611e-02 1.6807e-02 -6.0000e+00 1.3841e-01 5.9051e-03 1.1224e-02 8.6954e-03 -6.0000e+00 8.2253e-02 -1.1414e-02 5.8384e-03 2.8804e-03 -6.0000e+00 3.5010e-02 9.4340e-05 7.9994e-04 3.1629e-04 3.6364e-05 -6.0000e+00 2.5105e-03 4.4417e-03 0.0000e+00 12 8 8 10 0 0 99.88 23.05 0.21 0.00444 0.01045 16 4 1 5 0 2975.520 26.41 19.99 23.05 17.72 24.3 987.34 19731 -17325 -16224 -31217 -23441 -6322 -22534 682 -3267 -1707 70543 601 4833 -13262 3698 3797 4294 936 -8600 13160 4841 12883 985 5378 156 1446 7974 -4335 -10664 -12061 -4533 1378 -8146 -3316 -14251 -3072 -7971 2076 -636 -3863 1513 -2585 1861 -1137 1344 -1134 1292 -164 7038 3742 2878 -462 781 4222 1264 1729 2577 -2051 247 570 337 1975 5668 2374 611 -1075 452 936 295 2969 1067 1919 1249 -988 -2357 1092 -3411 -3941 -3662 -4216 -1117 -1330 -945 -2131 -270 -3 1877 1084 1528 1970 -430 -1368 -4066 -1518 -1487 -333 218 1636 134 -938 -758 -2660 -1600 -940 -1306 -310 -617 -1066 863 1993 1775 1176 933 -851 -1490 -700 -291 1659 92 503 410 79 2621 528 -300 98 -214 1121 -1164 -1203 -1441 -382 -1117 378 -103 -231 1101 1233 827 523 -728 -2115 722 -993 -920 -1923 -1230 -274 -1237 33 -179 -95 2065 36 321 -1246 336 377 450 114 -1203 1533 620 1525 135 742 24 222 1121 -660 -1679 -1969 -749 238 -1648 -639 -2948 -576 -1753 492 -183 -1297 521 -970 685 -436 506 -437 481 -61 2440 1383 1144 -204 361 1966 624 869 1292 -1066 124 288 179 1123 3363 1519 391 -652 255 535 187 2036 798 1457 937 -771 -1714 692 -2094 -2425 -2443 -3201 -920 -1196 -901 -2173 -288 -3 2188 1293 1784 2180 -450 -1320 -3794 -1401 -1486 -366 265 2130 184 -1257 -936 -3102 -1815 -1110 -1655 -410 -856 -1561 1321 3215 2983 1982 1504 -1297 -2127 -956 -403 2372 143 807 662 125 3904 770 -420 130 -279 1487 -1702 -1886 -2360 -635 -1932 677 -195 -456 2201 2485 1664 1026 -1383 -3936 SS 20240503T123247.0Z 8889.522766 190 1 48.45 2 60.41 94.43 52.62 171.96 0.00 1 0.00 1 0 17 4.347e-02 1.217e-02 2.329e-02 4.219e-03 2.919183e-01 2.227523e-03 3.580074e-03 -6.000000e+00 2.616412e-02 230.17 -2.00 3.51 -2.00 318.50 0.00e+00 1.834532e-03 4.386653e-04 1.004153e-03 -6.000000e+00 1.138628e-03 282.30 -2.00 20.00 -2.00 317.79 0.00e+00 2.016 0.000 302.00 328.00 3 5.0908e+00 6.0384e-03 2.5503e-02 -6.0000e+00 6.5370e-02 4.7935e-02 6.8455e-03 1.5487e-02 -6.0000e+00 7.0549e-02 4.2204e-03 4.4993e-03 7.8129e-03 -6.0000e+00 4.1926e-02 -9.6181e-03 2.3085e-03 2.4082e-03 -6.0000e+00 1.7844e-02 2.9133e-04 3.4227e-04 1.3333e-04 2.7092e-05 -6.0000e+00 1.2797e-03 4.8264e-03 0.0000e+00 12 8 8 10 0 0 99.97 23.03 0.43 0.00483 0.00740 38 9 1 5 0 1274.730 26.41 19.99 23.03 17.97 24.3 988.74 -5253 13166 -8363 5057 -13549 20479 -14358 2942 3419 -19267 -13974 -14860 -5622 -4861 6000 -741 5000 4691 -7163 6589 -4340 5132 110 3114 2317 -1867 -2516 -1674 -3991 -3773 2062 -1238 4317 -3665 -1488 -5346 -3341 1956 -2766 1479 -2114 438 -544 1891 -632 618 287 -1653 -1863 -1466 2683 -61 1728 1239 1681 1804 906 216 -1536 -215 948 3922 2806 2632 277 -671 -433 -2084 3331 1139 1213 1272 1496 754 -173 -1234 -3384 -2357 -2879 -1966 -3806 -2004 -3118 -1176 -169 386 1908 518 1818 419 503 -821 -802 -1000 -862 -288 143 1331 172 154 -2271 -2005 -908 -650 -1586 -1453 -1069 -1467 1363 1484 1839 832 328 -544 -673 -507 -940 514 895 955 522 1401 1106 828 179 -911 -888 120 132 -646 -876 -770 -109 -389 146 77 624 835 491 67 -709 -1259 -324 728 -572 282 -836 879 -941 182 229 -1659 -1157 -1329 -526 -527 665 -96 643 633 -1134 940 -700 753 17 504 399 -341 -451 -284 -667 -637 355 -243 851 -781 -318 -1201 -820 542 -890 516 -827 174 -224 767 -264 271 124 -718 -807 -649 1212 -31 895 672 933 1022 522 124 -886 -123 564 2453 1917 1876 198 -451 -273 -1355 2250 875 998 1071 1237 598 -127 -827 -2139 -1461 -1940 -1481 -3265 -1839 -3074 -1202 -183 442 2255 630 2149 478 530 -799 -732 -923 -858 -316 173 1731 234 204 -2844 -2322 -1022 -765 -2016 -1946 -1491 -2154 2067 2391 3064 1395 526 -817 -941 -681 -1288 732 1352 1506 835 2171 1659 1193 247 -1210 -1146 158 187 -986 -1395 -1255 -182 -685 269 148 1223 1649 969 128 -1320 -2276 SS 20240503T141135.1Z 8889.591378 261 1 49.91 2 42.42 114.53 54.33 201.56 0.00 1 0.00 1 0 17 4.175e-02 1.770e-02 3.361e-02 1.161e-02 2.173503e-01 6.153398e-03 2.625509e-03 -6.000000e+00 2.511919e-02 230.18 -2.00 3.51 -2.00 317.31 0.00e+00 1.340218e-03 8.591597e-04 4.269380e-04 -6.000000e+00 1.093549e-03 282.31 -2.00 20.00 -2.00 316.57 0.00e+00 1.353 0.000 302.00 328.00 3 7.0592e+00 1.6228e-02 1.7674e-02 -6.0000e+00 6.2759e-02 9.0539e-02 1.8145e-02 1.1104e-02 -6.0000e+00 6.7739e-02 -8.4241e-03 1.0784e-02 5.4867e-03 -6.0000e+00 4.0255e-02 -7.2269e-03 5.2085e-03 1.6573e-03 -6.0000e+00 1.7126e-02 8.7562e-05 2.9488e-04 3.6597e-04 1.7625e-05 -6.0000e+00 1.2292e-03 7.3893e-03 0.0000e+00 12 9 8 11 8 0 99.86 22.96 0.94 0.00739 0.00961 17 4 1 5 0 2935.080 26.32 20.00 22.96 19.27 24.4 998.27 20452 9164 11315 5433 -13650 -1778 -2220 -9213 -19674 -8031 4908 571 -5554 -2653 -859 -10454 -974 2652 -1757 2516 4633 6140 3175 4944 -3095 -3048 -564 3831 -38 7021 -3610 -2188 4662 -7578 -9740 -2286 1701 -3258 1802 3245 -3060 3266 -1798 1498 -835 300 -385 -3334 2374 1656 2295 2493 3046 95 1652 467 2236 -2501 -2297 1152 3096 1962 2692 2323 -1187 -2501 -1311 -618 4521 -708 -328 3125 829 2711 935 -4465 -1401 -6111 -2583 -3626 -1546 -2237 -2619 -416 -791 1133 755 2197 2134 1194 2020 -716 -3399 -2087 -459 -1396 351 288 281 -736 -3854 -1828 -363 -1192 -3087 -1518 -962 159 948 2336 2567 1030 478 212 630 -2344 567 446 -473 329 491 727 1325 1014 -370 1261 -197 -1571 68 544 -115 -1966 -109 -575 435 1311 1058 532 1025 -157 -835 -2686 2214 1174 1393 653 -1806 -203 -272 -1349 -3438 -1267 677 86 -994 -526 -186 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