File name: Pandora64s1_NewHavenCT_20230627_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230703T113513.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230627_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230627 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20230627T105308.7Z 8578.453573 98 1 13.98 2 75.13 71.83 143.80 340.18 0.00 1 0.00 1 0 25 1.819e-01 1.284e-02 7.402e-02 4.174e-03 5.027006e-01 2.300167e-03 5.918461e-03 -6.000000e+00 1.121716e-01 232.94 -2.00 3.52 -2.00 319.78 0.00e+00 3.187708e-03 7.090471e-04 1.046332e-03 -6.000000e+00 4.952510e-03 287.60 -2.00 20.00 -2.00 319.04 0.00e+00 3.818 0.001 302.00 328.00 3 3.1244e+00 6.6739e-03 4.6937e-02 -6.0000e+00 2.8168e-01 6.0730e-02 7.9370e-03 2.7113e-02 -6.0000e+00 3.0303e-01 -6.0658e-02 6.2459e-03 1.3833e-02 -6.0000e+00 1.8025e-01 2.1620e-02 3.2136e-03 4.6928e-03 -6.0000e+00 7.6254e-02 2.7975e-04 -3.7743e-04 1.2686e-04 5.7924e-05 -6.0000e+00 5.4149e-03 -6.8005e-03 9.3108e-05 12 9 9 12 1 1 99.97 21.40 0.16 -0.00680 -0.00964 14 13 1 5 0 920.020 25.90 20.01 21.40 27.77 38.0 1047.18 -51637 37892 -17163 -3440 -167339 -41180 -6291 -61714 -21316 -41942 -18831 -11336 -43259 -25680 -16447 -6660 -8387 533 -11341 -2887 1514 14196 6408 8261 4699 -627 1489 -8564 9111 -5638 5003 8003 6554 3808 -2457 -513 2134 4201 2859 68 3342 1222 3060 1052 2190 3523 2449 906 783 -1763 5360 6854 2773 2408 2835 -326 1082 694 1132 322 -296 420 2207 3400 2288 -63 -535 -1076 277 1835 1393 1299 128 -970 -2441 -2236 -937 -1655 -1782 149 -1720 -1085 -2468 -2306 -418 -866 -709 813 695 1158 519 431 -1338 -386 458 423 -1133 1318 213 117 -224 -1179 -2446 -313 190 -1845 -848 -475 -484 1211 1054 80 467 -7 -259 520 428 -151 651 114 -221 10 952 68 1146 920 -881 807 1423 576 237 -644 -374 -777 258 -324 -532 315 121 -206 251 -757 -1051 379 -285 -47 -10110 -782 -92 -1758 -448 -1152 -428 -277 -1790 -1089 -764 -321 -447 28 -664 -164 83 751 389 486 302 -44 103 -630 612 -441 407 709 663 403 -265 -57 262 601 499 13 676 267 687 244 512 827 587 226 201 -495 1547 2124 962 899 1091 -125 416 284 455 132 -121 187 1068 1757 1193 -32 -275 -573 163 1119 909 870 84 -613 -1527 -1271 -505 -919 -1117 99 -1320 -925 -2141 -2119 -406 -894 -719 824 698 1163 489 382 -1168 -349 457 451 -1382 1653 280 149 -283 -1381 -2790 -368 238 -2329 -1129 -670 -704 1889 1671 129 734 -11 -385 748 632 -234 1065 184 -353 16 1488 102 1647 1346 -1284 1172 2266 955 421 -1150 -697 -1537 514 -673 -1126 673 255 -417 507 -1481 SS 20230627T112753.2Z 8578.477700 117 1 9.09 2 68.85 77.00 145.33 354.24 0.00 1 0.00 1 0 25 2.581e-02 7.089e-03 1.354e-02 2.069e-03 3.716627e-01 1.122678e-03 4.386057e-03 -6.000000e+00 1.591591e-02 232.94 -2.00 3.52 -2.00 318.49 0.00e+00 5.105381e-04 2.295671e-04 2.269747e-04 -6.000000e+00 7.026617e-04 287.60 -2.00 20.00 -2.00 317.69 0.00e+00 2.744 0.000 302.00 328.00 3 2.6515e+00 3.0618e-03 3.3979e-02 -6.0000e+00 3.9967e-02 4.8234e-03 3.4755e-03 1.9780e-02 -6.0000e+00 4.2994e-02 4.6037e-03 2.3051e-03 9.5851e-03 -6.0000e+00 2.5575e-02 -7.8638e-03 1.1861e-03 2.6604e-03 -6.0000e+00 1.0821e-02 1.5106e-03 -2.0527e-05 6.4295e-05 3.0323e-05 -6.0000e+00 7.6818e-04 -8.7012e-03 5.6670e-05 12 9 1 12 1 1 100.00 21.44 0.19 -0.00870 -0.00886 42 56 1 5 0 207.190 25.90 19.96 21.44 27.87 38.0 1047.66 3301 -6066 36 -7787 -22316 -7000 -2111 -7320 1674 -5262 -2981 -3860 768 -2224 867 680 203 -272 -1410 918 1021 862 2435 2127 -671 1193 -341 -2051 81 -144 2771 358 2833 -471 -3263 -2088 -1654 -1161 184 -317 -1245 -712 -1008 -1099 -1296 19 -832 -419 -1144 -918 720 1654 83 1281 -99 681 778 554 -171 684 683 1353 1203 2442 1012 -1392 512 -743 1109 1405 307 373 -194 428 -175 -697 -312 -1386 -604 -305 -1613 -365 -1779 -1647 -457 -338 535 -86 1136 669 417 966 -218 376 695 280 -217 879 509 -724 -316 -1616 -1830 -155 611 -1659 -217 -636 -523 515 545 150 142 136 54 -233 534 -154 233 356 -230 -348 572 -76 1197 938 -990 458 957 130 316 -417 -368 -165 581 -33 -365 298 60 -420 29 -624 137 -298 2 -370 -1142 -314 -99 -407 94 -333 -187 -272 56 -195 85 74 24 -34 -187 124 140 119 351 329 -112 203 -58 -337 13 -24 492 71 603 -104 -705 -470 -386 -319 60 -119 -471 -281 -413 -453 -539 8 -343 -173 -478 -399 335 820 44 720 -58 381 442 313 -96 412 404 865 835 1774 730 -966 342 -510 829 1099 259 322 -164 344 -139 -503 -211 -952 -454 -243 -1459 -339 -1777 -1739 -486 -380 623 -102 1319 740 454 972 -211 371 747 318 -275 1148 686 -954 -390 -1972 -2175 -193 764 -2206 -301 -887 -779 775 861 238 217 204 76 -335 742 -225 362 545 -354 -549 872 -111 1745 1317 -1375 659 1412 206 504 -691 -632 -285 1056 -59 -677 558 112 -790 53 -1099 SS 20230627T113712.0Z 8578.484167 120 1 1.05 2 67.14 78.38 145.47 358.14 0.00 1 0.00 1 0 17 3.930e-02 9.416e-03 2.591e-02 5.745e-03 3.530156e-01 3.127739e-03 4.170183e-03 -6.000000e+00 2.422905e-02 232.94 -2.00 3.52 -2.00 317.80 0.00e+00 2.114814e-04 5.195429e-04 1.610800e-04 -6.000000e+00 1.069804e-03 287.60 -2.00 20.00 -2.00 316.98 0.00e+00 2.553 0.000 302.00 328.00 3 2.3758e+00 8.3907e-03 3.1794e-02 -6.0000e+00 6.0842e-02 1.9657e-02 9.4181e-03 1.8662e-02 -6.0000e+00 6.5460e-02 -1.3966e-02 5.8468e-03 9.0068e-03 -6.0000e+00 3.8938e-02 1.0011e-03 2.9307e-03 2.4490e-03 -6.0000e+00 1.6469e-02 2.4500e-03 -7.9990e-04 1.7752e-04 2.8774e-05 -6.0000e+00 1.1703e-03 -8.1086e-03 -2.8050e-05 12 9 9 12 1 1 999.00 21.40 0.08 -0.00811 -0.01412 2 40 1 5 0 290.730 25.90 20.01 21.40 28.23 38.0 1049.71 20025 -10989 15011 -15120 -7473 -14696 5577 -14681 8484 -9775 3752 -10361 5162 -3021 3128 2490 5133 26 3543 -2305 629 -2615 3204 2179 -51 -1240 81 1890 1118 -3770 -401 -745 1478 -1452 -4613 1364 -2740 435 -1770 1762 -1857 706 -1869 -194 -2959 367 -1385 -257 -1993 1150 2148 3733 854 2604 -1244 1366 982 1463 -893 1342 1147 1651 115 1192 -100 477 -532 -919 89 1787 559 813 -476 -39 42 -302 -2146 -2061 -323 -262 -1728 -1200 -1565 -1895 681 -737 10 1294 1027 189 765 -257 -437 -19 1063 -645 291 616 716 -793 -808 -665 -1556 -143 913 -1229 -427 -401 -307 9 1378 -610 1000 170 -462 -1162 1019 -800 880 135 765 -557 890 -298 1644 851 -1317 -195 695 236 145 -122 -272 -592 379 308 -292 157 376 -325 189 -1096 1110 -888 956 -1199 -509 -1096 370 -1342 678 -983 333 -1167 580 -406 456 402 848 5 629 -454 122 -525 640 469 -12 -300 19 411 238 -875 -99 -200 406 -412 -1279 374 -882 153 -730 802 -906 351 -985 -101 -1529 191 -724 -133 -1051 610 1175 2155 519 1648 -811 892 654 961 -591 879 789 1183 88 949 -79 362 -398 -698 72 1529 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