File name: Pandora187s1_PittsburghPA_20211228_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T081000.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20211228_L1_smca1c2d20210902p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20211228 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: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20211228T140544.6Z 8032.587322 273 1 46.62 2 78.30 134.96 53.20 210.23 0.00 1 0.00 1 0 17 2.833e-01 1.140e-02 2.448e-01 7.823e-03 5.152293e-01 4.077667e-03 6.075724e-03 -6.000000e+00 1.607645e-01 223.15 -2.00 3.49 -2.00 320.50 0.00e+00 -5.693780e-04 1.534416e-03 1.884044e-03 -6.000000e+00 7.442781e-03 275.23 -2.00 20.00 -2.00 319.98 0.00e+00 4.776 0.002 302.00 328.00 3 3.1990e+00 1.2275e-02 5.3555e-02 -6.0000e+00 3.9603e-01 3.7459e-02 1.5585e-02 2.8932e-02 -6.0000e+00 4.3199e-01 -2.3534e-02 1.5225e-02 1.4740e-02 -6.0000e+00 2.5757e-01 6.7390e-03 7.6840e-03 4.2880e-03 -6.0000e+00 1.1148e-01 1.2672e-04 -1.5115e-03 2.3541e-04 5.9265e-05 -6.0000e+00 8.1131e-03 -1.0873e-02 -1.0909e-04 12 8 8 10 0 0 98.68 18.52 0.43 -0.01087 -0.02223 14 4 1 5 0 3328.420 21.88 15.00 18.52 13.10 13.4 955.23 41230 900000 900000 900000 -81425 -89872 90502 -47665 47694 -81790 -71307 -566 -51729 -21417 -19603 -20596 -20629 153833 -25007 19330 165996 -23777 -17294 -5170 -5479 -21213 35546 48519 -21451 28711 -24250 3775 9752 -11711 -20025 812 14951 7091 832 -1703 -9812 -2925 7574 355 7443 922 2932 -465 -5601 -123 8584 -3670 -4008 5685 3971 4536 3690 3342 5204 1806 -948 2702 4971 1238 949 -3221 -14 248 172 1361 2192 801 850 -1689 -1215 -2919 -1416 -3060 -4008 -2361 -3084 -925 -1609 -3690 250 74 2261 2187 1340 2608 750 -366 2339 -2337 -714 -862 268 758 -430 1155 -681 -723 1373 -52 -1671 -1063 -1993 -55 902 19 -13 1021 -146 40 -423 -813 314 -287 204 -740 -266 1586 -928 140 -1187 -456 1920 701 1476 -232 204 439 256 517 185 -778 69 -818 246 -97 -44 -162 314 900000 900000 900000 -993 -1233 690 -597 364 -1737 -1437 -6 -1211 -455 -491 -594 -651 1173 -953 495 1265 -971 -716 -208 -239 -1132 1065 1215 -1075 954 -1585 214 579 -867 -1548 54 985 614 94 -229 -1565 -460 1109 56 1114 149 469 -79 -1037 -23 1650 -875 -1041 1436 1068 1259 1049 937 1400 508 -292 895 1797 497 377 -1279 -5 101 79 697 1189 447 458 -869 -562 -1251 -577 -1338 -2034 -1372 -2059 -668 -1247 -3114 217 68 2122 2073 1250 2254 612 -284 1745 -1964 -668 -862 301 930 -543 1366 -749 -781 1438 -55 -1921 -1277 -2568 -75 1336 29 -22 1637 -227 62 -626 -1196 475 -463 323 -1199 -419 2533 -1468 210 -1731 -634 2648 1073 2334 -406 375 839 516 1042 396 -1724 156 -1855 535 -215 -93 -329 SS 20211228T141114.7Z 8032.591142 276 1 46.14 2 77.56 136.01 53.75 211.75 0.00 1 0.00 1 0 25 1.903e-01 7.436e-03 2.074e-01 5.681e-03 4.913937e-01 2.944001e-03 5.780141e-03 -6.000000e+00 1.079944e-01 223.15 -2.00 3.49 -2.00 320.40 0.00e+00 7.842099e-04 1.057070e-03 1.368200e-03 -6.000000e+00 4.711746e-03 275.23 -2.00 20.00 -2.00 319.88 0.00e+00 4.514 0.002 302.00 328.00 3 2.6645e+00 8.7810e-03 5.0642e-02 -6.0000e+00 2.6613e-01 1.6383e-02 1.0963e-02 2.7218e-02 -6.0000e+00 2.9021e-01 -1.0369e-03 1.0494e-02 1.3359e-02 -6.0000e+00 1.7269e-01 -6.8931e-03 5.3445e-03 3.9934e-03 -6.0000e+00 7.3567e-02 2.8347e-04 -9.7676e-04 1.7079e-04 5.2032e-05 -6.0000e+00 5.3053e-03 -1.2260e-02 -1.0707e-05 11 8 0 10 0 0 86.69 18.52 0.59 -0.01226 -0.01960 41 13 1 5 0 1125.040 21.88 15.00 18.52 13.47 13.5 958.59 -26618 152011 25327 79519 -52883 -54891 -48456 -25651 -14136 -29324 -24529 -45901 -16763 -30493 -27481 -22833 159 14173 -7321 -1232 16913 -16199 -3880 -1779 -8985 -17929 -5383 5466 -24756 17839 -12992 2235 644 10066 -17051 -4175 53 1190 -159 3421 -6781 407 -902 1641 3925 -134 1417 -3449 -3141 -376 2521 -2089 1184 -884 1650 3096 2661 1235 3039 1683 241 3220 3783 1439 -919 61 -109 2228 49 -17 619 727 1617 -8 -407 -1997 -1990 -1390 -617 -1558 -1686 -1785 -2074 -2562 -78 -85 981 1637 1765 1502 302 -402 648 -664 -658 -225 365 495 -382 752 -705 -574 468 -63 -1454 -936 -890 -435 683 310 165 640 251 -265 431 -308 -132 -674 -102 -590 -496 294 -100 333 -583 -7 1610 431 869 229 143 343 98 400 -6 -447 -54 -305 -199 99 -120 -139 -214 842 140 440 -559 -608 -561 -271 -149 -384 -321 -855 -287 -737 -775 -701 4 393 -268 -44 515 -700 -159 -78 -453 -1033 -271 236 -1440 741 -849 144 47 669 -1426 -321 4 121 -20 479 -1149 68 -158 284 672 -24 254 -663 -623 -78 561 -533 317 -258 490 938 821 380 901 512 80 1147 1494 621 -399 25 -45 941 24 -10 362 430 917 -4 -199 -901 -864 -631 -319 -944 -1164 -1362 -1690 -2032 -64 -75 887 1486 1562 1376 260 -325 511 -568 -636 -225 411 610 -483 895 -779 -580 510 -67 -1678 -1130 -1140 -595 1014 505 284 1091 412 -410 625 -445 -197 -1079 -171 -1010 -831 473 -156 495 -839 -9 2209 655 1455 418 277 629 189 821 -14 -1006 -124 -703 -446 211 -243 -273 SS 20211228T145921.9Z 8032.624559 300 1 9.31 2 71.79 145.78 59.42 223.96 0.00 1 0.00 1 0 17 4.021e-02 8.536e-03 8.327e-02 9.212e-03 3.554310e-01 4.612245e-03 4.251188e-03 -6.000000e+00 2.280455e-02 223.15 -2.00 3.49 -2.00 318.93 0.00e+00 2.214674e-04 1.048647e-03 2.942107e-04 -6.000000e+00 9.955125e-04 275.22 -2.00 20.00 -2.00 318.34 0.00e+00 3.159 0.001 302.00 328.00 3 3.6477e+00 1.2554e-02 3.5316e-02 -6.0000e+00 5.6196e-02 -3.1747e-03 1.4473e-02 1.8195e-02 -6.0000e+00 6.1296e-02 1.8025e-02 1.0722e-02 9.0972e-03 -6.0000e+00 3.6474e-02 -1.2398e-02 5.6862e-03 2.6371e-03 -6.0000e+00 1.5528e-02 4.3796e-04 -1.3209e-03 2.7337e-04 3.0520e-05 -6.0000e+00 1.1214e-03 -8.6883e-03 -8.2975e-05 12 9 1 12 1 1 87.63 18.60 0.26 -0.00869 -0.01861 3 6 1 5 0 2284.760 21.88 14.99 18.60 14.48 13.4 965.18 2026 -2008 13760 5564 -21474 -3618 1905 2655 -1201 -4915 -4612 -17400 -6952 -7767 6064 6094 7916 -2621 1539 4645 17788 -2572 -4651 -2542 -3137 -12775 1792 -1176 -4243 9463 -2148 707 800 2261 -6056 1464 -2381 -644 -253 -1959 -2822 -940 15 569 1074 -634 1214 -2995 -3310 1092 3322 -392 -96 605 2258 1785 1213 2144 1097 1294 -118 3490 1847 1784 -476 -2113 -3073 1258 548 222 770 727 539 391 213 -1745 -2129 -2140 -1097 -1241 -1841 -2375 -1748 -1179 -562 51 1411 1140 603 1106 494 292 741 354 -741 -169 983 232 -331 -123 -513 -154 823 -246 -1210 -821 -1410 304 1218 381 351 281 900 -1142 211 -200 -227 -94 14 -816 227 396 -541 -250 -189 239 357 -208 777 452 210 948 -194 319 -318 -556 318 -57 -80 -181 -75 -255 63 -71 418 169 -786 -112 62 97 -51 -224 -214 -1010 -428 -569 448 497 673 -263 155 472 1731 -286 -559 -321 -423 -1960 252 -160 -578 1183 -334 118 146 401 -1111 260 -501 -147 -69 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