File name: Pandora64s1_NewHavenCT_20241005_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241006T044642.9Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241005_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: 20241005 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 20241005T123527.3Z 9044.524621 89 1 30.91 2 72.33 113.75 101.83 105.13 0.00 1 0.00 1 0 25 6.632e-02 7.450e-03 1.196e-02 9.883e-04 4.718627e-01 5.308303e-04 5.581314e-03 -6.000000e+00 3.996327e-02 226.91 -2.00 3.52 -2.00 319.21 0.00e+00 7.614760e-04 1.388620e-04 5.563434e-04 -6.000000e+00 1.786101e-03 285.13 -2.00 20.00 -2.00 318.49 0.00e+00 3.249 0.001 302.00 328.00 3 1.9625e+00 1.4793e-03 4.0735e-02 -6.0000e+00 9.8973e-02 -9.9559e-03 1.7266e-03 2.4597e-02 -6.0000e+00 1.0703e-01 -8.0378e-03 1.3003e-03 1.2245e-02 -6.0000e+00 6.3893e-02 -3.8282e-03 6.8038e-04 3.5176e-03 -6.0000e+00 2.7271e-02 1.6621e-03 -5.3724e-04 3.0131e-05 4.2263e-05 -6.0000e+00 1.9720e-03 -2.5521e-03 -2.6178e-05 12 9 1 12 1 1 99.52 21.54 0.18 -0.00255 -0.00659 136 52 1 5 0 225.570 26.00 20.00 21.54 24.49 40.2 1014.92 -13427 -19261 -8775 -26897 -48781 -22519 -17214 -19210 -8056 -17195 -12715 -13865 -7052 -7771 -1014 -2830 -1230 480 -396 -29 184 -1429 262 -1810 -640 -1439 -1736 -3806 -3634 -3068 529 -1196 1185 -1165 -5702 -4641 -3064 -787 304 117 -617 -749 329 -815 -409 635 -537 567 -1054 -218 1142 1317 1225 1349 501 1320 1090 974 278 566 644 1720 2037 2935 1126 -788 -225 -1299 649 1694 508 752 -46 509 -320 -1077 -1243 -2243 -968 -457 -1458 -497 -1810 -1816 -486 -421 279 366 1141 658 324 227 -821 -195 561 175 -130 1135 749 -445 -693 -1708 -1904 25 355 -1422 -362 -662 -220 436 958 421 290 125 -158 -344 410 -149 652 362 -201 -316 695 124 891 664 -1153 424 907 245 451 -632 -691 -435 422 -77 -437 440 347 -244 44 -626 -289 -479 -204 -697 -1350 -547 -438 -566 -237 -536 -395 -503 -290 -387 -56 -180 -83 35 -30 -2 15 -120 23 -177 -66 -155 -186 -399 -380 -344 65 -154 166 -169 -829 -709 -524 -157 72 30 -171 -220 99 -251 -127 198 -170 181 -351 -77 436 545 507 597 231 626 527 467 132 271 326 945 1144 1755 679 -462 -131 -788 433 1253 379 573 -34 381 -221 -683 -756 -1410 -676 -342 -1243 -440 -1727 -1839 -494 -451 309 410 1254 687 335 221 -779 -193 577 203 -160 1457 995 -578 -887 -2029 -2192 30 452 -1824 -489 -907 -325 663 1539 685 458 187 -234 -498 602 -230 1013 579 -320 -489 1085 185 1278 966 -1673 616 1374 404 757 -1114 -1219 -809 795 -150 -872 885 689 -467 85 -1156 SS 20241005T124418.3Z 9044.530767 95 1 48.42 2 70.82 115.44 100.30 106.49 0.00 1 0.00 1 0 25 4.400e-02 7.344e-03 8.034e-03 7.426e-04 4.391226e-01 3.979898e-04 5.202729e-03 -6.000000e+00 2.651978e-02 226.91 -2.00 3.52 -2.00 319.04 0.00e+00 9.282889e-04 9.892867e-05 4.209032e-04 -6.000000e+00 1.185160e-03 285.13 -2.00 20.00 -2.00 318.32 0.00e+00 3.008 0.000 302.00 328.00 3 2.0389e+00 1.1008e-03 3.7785e-02 -6.0000e+00 6.5679e-02 -6.0826e-03 1.2754e-03 2.2836e-02 -6.0000e+00 7.1019e-02 5.3886e-03 9.3475e-04 1.1355e-02 -6.0000e+00 4.2396e-02 -1.0558e-02 4.8971e-04 3.3165e-03 -6.0000e+00 1.8100e-02 2.0015e-03 -3.1709e-04 2.2860e-05 3.9842e-05 -6.0000e+00 1.3084e-03 -2.9167e-03 2.0699e-05 11 9 0 11 8 0 99.99 21.54 0.17 -0.00292 -0.00530 340 82 1 5 0 142.390 26.00 20.00 21.54 25.08 40.1 1017.48 -10685 -9145 -8755 -14138 -34682 -14276 -12386 -9029 -7679 -7412 -11521 -8446 -4822 -3613 521 404 -903 1325 332 1936 2 68 1558 -242 -586 272 -232 -1715 -1364 -1335 1397 177 1888 -754 -4870 -3447 -2096 -1515 107 -89 -1137 -1239 -282 -1154 -171 306 -33 -1 -697 -376 1191 -1863 977 1472 489 871 1250 626 218 413 642 1637 1757 2599 1215 -960 -65 -1214 856 1615 610 705 -27 563 6 -1005 -890 -2067 -744 -303 -1175 -583 -1842 -1943 -401 -319 249 405 1156 691 499 470 -675 -100 729 318 -165 1180 707 -365 -539 -1776 -2043 108 277 -1455 -569 -746 -158 415 833 383 148 108 -220 -239 440 -179 609 362 -215 -363 640 99 945 665 -1194 415 923 293 420 -612 -710 -369 418 -131 -409 492 356 -381 160 -626 -260 -238 -235 -372 -1055 -402 -377 -273 -255 -260 -436 -354 -235 -208 34 30 -72 112 30 179 0 7 158 -25 -63 30 -26 -202 -159 -153 176 25 291 -120 -774 -573 -390 -333 28 -25 -344 -396 -93 -385 -57 103 -11 0 -246 -140 478 -833 423 677 234 430 624 311 107 205 336 929 1089 1595 746 -613 -41 -791 569 1195 485 572 -21 422 4 -682 -576 -1376 -510 -237 -977 -536 -1818 -1916 -419 -352 284 442 1309 744 500 469 -654 -100 756 371 -205 1507 933 -470 -686 -2107 -2355 129 353 -1861 -766 -1066 -230 650 1307 607 238 164 -316 -352 658 -268 958 588 -348 -571 972 144 1384 939 -1680 611 1405 483 700 -1067 -1233 -673 770 -251 -800 968 693 -717 301 -1143 SS 20241005T125348.9Z 9044.537372 98 1 43.61 2 69.22 117.30 98.66 107.95 0.00 1 0.00 1 0 25 2.837e-02 7.442e-03 4.250e-03 5.269e-04 4.101769e-01 2.812667e-04 4.891527e-03 -6.000000e+00 1.709993e-02 226.91 -2.00 3.52 -2.00 318.62 0.00e+00 6.738408e-04 6.114505e-05 3.423645e-04 -6.000000e+00 7.641893e-04 285.12 -2.00 20.00 -2.00 317.88 0.00e+00 2.791 0.000 302.00 328.00 3 1.5831e+00 7.6445e-04 3.5136e-02 -6.0000e+00 4.2350e-02 -1.2746e-02 8.7473e-04 2.1295e-02 -6.0000e+00 4.5793e-02 5.2462e-04 6.0602e-04 1.0544e-02 -6.0000e+00 2.7337e-02 -7.2129e-03 3.1670e-04 3.0192e-03 -6.0000e+00 1.1671e-02 4.0589e-03 -3.3848e-04 1.6228e-05 3.5884e-05 -6.0000e+00 8.4365e-04 -3.3017e-03 2.8569e-06 12 9 1 12 1 1 99.93 21.56 0.17 -0.00330 -0.00585 449 120 1 5 0 96.890 26.00 20.00 21.56 25.79 40.1 1021.58 -5835 -4847 -7200 -8118 -21706 -9227 -8055 -3793 -3578 -4898 -7987 -4105 -3167 144 850 555 -709 1230 -398 1858 916 -352 807 841 56 769 -362 -2674 -1899 -1081 1007 -533 1610 -1084 -5129 -3517 -2325 -1444 -17 -120 -816 -1118 -72 -864 -408 -16 -371 -148 -733 -349 1419 -321 1113 1438 506 870 1342 590 288 239 739 1549 1698 2643 1157 -1098 -65 -1400 899 1705 562 619 -63 485 64 -1092 -968 -2189 -697 -419 -1253 -627 -1895 -1917 -465 -355 296 303 1032 631 468 415 -768 21 852 378 -153 1119 649 -366 -535 -1674 -2032 147 353 -1378 -357 -742 -288 332 862 449 255 138 -208 -187 410 -283 594 402 -167 -305 593 126 913 719 -1047 423 995 336 391 -543 -733 -371 452 -131 -495 405 300 -332 172 -653 -201 -178 -279 -293 -842 -325 -308 -157 -164 -240 -414 -232 -211 11 75 55 -76 139 -44 210 106 -42 100 112 8 112 -53 -380 -264 -158 162 -96 314 -218 -1023 -730 -541 -365 -5 -41 -304 -439 -29 -353 -168 -7 -153 -61 -311 -144 629 -156 570 782 286 472 736 322 156 131 424 963 1149 1769 823 -755 -43 -976 640 1347 477 506 -53 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