File name: Pandora75s1_EssexMD_20250414_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250415T051013.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250414_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250414 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250414T120806.7Z 9235.505633 247 1 5.95 2 71.97 92.28 103.34 256.11 0.00 1 0.00 1 0 17 7.294e-02 8.005e-03 2.339e-02 2.558e-03 4.413305e-01 1.340341e-03 5.083565e-03 -6.000000e+00 4.377454e-02 228.69 -2.00 3.48 -2.00 318.82 0.00e+00 1.516995e-03 3.055843e-04 8.770977e-04 -6.000000e+00 1.924253e-03 281.29 -2.00 20.00 -2.00 318.12 0.00e+00 3.188 0.001 302.00 328.00 3 2.3381e+00 3.6929e-03 3.9172e-02 -6.0000e+00 1.0890e-01 -3.5593e-03 4.2382e-03 2.2662e-02 -6.0000e+00 1.1814e-01 -1.7645e-02 2.9835e-03 1.1315e-02 -6.0000e+00 7.0332e-02 9.9323e-04 1.5453e-03 3.3837e-03 -6.0000e+00 2.9141e-02 1.2532e-03 1.5398e-05 7.9450e-05 4.1218e-05 -6.0000e+00 2.2579e-03 6.7947e-03 2.4835e-05 12 9 1 12 1 1 93.57 23.75 0.47 0.00679 0.00691 15 23 1 5 0 371.700 26.41 20.00 23.75 18.97 6.0 966.43 -48906 -21691 -11630 -17955 -24642 -26003 -23865 -24316 -23354 -6902 -12713 -3401 -13643 -12285 -7258 -4513 -514 2376 -1527 -2248 52 -5937 1520 -1549 -811 -943 -4818 -4127 -3874 -1879 -3264 -360 527 -1403 -4921 -1210 -5301 -1293 1042 -119 -1052 758 511 -698 -61 2211 -165 -818 230 1313 819 1553 1829 2249 1757 1913 1926 -36 -1130 530 1712 1977 3047 2185 1366 328 58 -338 588 1791 1066 1234 -57 256 -293 -940 -1557 -2150 -2374 -1793 -1198 -2102 -2412 -1989 -703 -266 353 775 445 624 287 -47 -556 -619 -399 109 526 689 473 -396 -1281 -1182 -907 -765 -863 -980 -441 -270 500 533 756 94 367 -182 -214 -31 352 256 444 402 632 735 882 931 213 -72 145 22 -6 -51 -300 -330 -175 -346 15 313 413 360 -14 -100 -250 -587 -619 -1830 -709 -366 -591 -811 -843 -798 -910 -967 -262 -536 -142 -735 -788 -529 -369 -45 216 -154 -240 6 -687 169 -189 -105 -128 -690 -571 -521 -255 -494 -60 88 -250 -896 -213 -1055 -288 273 -37 -339 257 182 -257 -23 808 -62 -311 88 518 350 718 840 1101 908 1021 1050 -20 -626 288 953 1188 1851 1446 933 219 37 -222 412 1297 851 1029 -48 205 -219 -689 -1066 -1462 -1739 -1389 -986 -1951 -2291 -2002 -747 -283 393 882 507 684 312 -48 -537 -601 -418 120 620 855 624 -522 -1609 -1443 -1046 -898 -1078 -1233 -582 -379 711 784 1184 146 581 -275 -318 -44 500 381 666 629 993 1133 1317 1398 308 -101 206 31 -10 -81 -485 -559 -307 -614 28 587 795 678 -28 -190 -453 -1071 -1116 SS 20250414T140906.5Z 9235.589659 328 1 6.46 2 49.28 114.80 125.94 273.73 0.00 1 0.00 1 0 17 1.922e-02 1.057e-02 1.020e-02 5.525e-03 2.161058e-01 2.914946e-03 2.553177e-03 -6.000000e+00 1.153405e-02 228.70 -2.00 3.48 -2.00 315.84 0.00e+00 6.895049e-04 2.996996e-04 1.340463e-04 -6.000000e+00 5.069686e-04 281.30 -2.00 20.00 -2.00 315.19 0.00e+00 1.530 0.000 302.00 328.00 3 5.2274e+00 7.5520e-03 1.8843e-02 -6.0000e+00 2.8695e-02 3.3079e-02 8.4314e-03 1.0878e-02 -6.0000e+00 3.1127e-02 3.3271e-03 4.8253e-03 5.3127e-03 -6.0000e+00 1.8531e-02 -5.2744e-03 2.1441e-03 1.4937e-03 -6.0000e+00 7.6794e-03 4.7370e-04 -2.7181e-04 1.7411e-04 2.0502e-05 -6.0000e+00 5.9484e-04 5.3890e-03 6.1608e-06 12 9 9 12 33 1 999.00 23.76 0.60 0.00539 0.00335 1 3 1 5 0 3226.380 26.41 20.00 23.76 23.69 6.0 998.08 -9227 5165 2494 912 -3507 -6635 -3842 -3383 1288 -1260 -4663 -3158 -2790 -1917 612 522 2072 1521 553 1738 230 4228 2584 1726 2817 2484 -69 -1936 -1778 3177 1265 2195 1242 -2854 -4688 -5627 -3387 638 778 -577 -1288 -426 307 -278 -87 -476 -232 -449 -1026 -207 1893 611 1371 1057 1061 1390 1394 -678 -279 -830 1211 2363 2124 1025 274 86 -1971 415 1985 1322 1306 1805 1459 932 38 -1128 -1584 -1035 -2398 -2111 -1772 -2281 -1385 -2109 -1614 -1101 157 282 -35 994 -93 563 -723 -480 -775 -733 629 11 3 -84 -269 -2081 -460 -262 -192 -1023 -99 -304 738 1242 535 691 741 -273 544 321 120 -159 528 -34 876 135 924 743 132 -282 6 416 786 279 442 -693 -273 -202 39 -702 269 799 148 -52 114 -1510 -697 -2115 1118 568 202 -737 -1494 -863 -751 299 -316 -1220 -829 -791 -606 212 181 743 566 215 686 94 1657 1044 731 1231 1121 -32 -867 -746 1234 516 941 570 -1394 -2250 -2683 -1690 351 464 -374 -922 -318 234 -201 -67 -366 -174 -329 -738 -147 1370 473 1038 839 869 1154 1171 -580 -235 -702 1032 2119 1919 981 262 77 -1793 359 1770 1228 1320 1787 1453 958 37 -1002 -1372 -847 -2052 -1983 -1729 -2306 -1482 -2399 -1840 -1332 187 345 -43 1230 -108 629 -754 -513 -813 -838 740 14 4 -106 -339 -2498 -522 -306 -239 -1288 -130 -416 997 1757 792 1023 1054 -385 701 414 154 -203 711 -46 1210 186 1300 1003 171 -367 8 519 1027 367 606 -987 -396 -288 59 -1058 412 1243 231 -80 170 -2324 -1052 SS 20250414T141324.5Z 9235.592645 331 1 27.01 2 48.52 115.79 126.75 274.42 0.00 1 0.00 1 0 17 1.681e-02 9.303e-03 4.859e-03 2.551e-03 2.161515e-01 1.346002e-03 2.571244e-03 -6.000000e+00 1.009367e-02 228.70 -2.00 3.48 -2.00 316.00 0.00e+00 1.158089e-03 1.424721e-04 1.621496e-04 -6.000000e+00 4.435720e-04 281.30 -2.00 20.00 -2.00 315.34 0.00e+00 1.507 0.000 302.00 328.00 3 5.6238e+00 3.4899e-03 1.8683e-02 -6.0000e+00 2.5112e-02 4.7275e-02 3.8976e-03 1.0935e-02 -6.0000e+00 2.7238e-02 -5.1351e-03 2.2331e-03 5.3332e-03 -6.0000e+00 1.6216e-02 -3.6592e-03 9.9592e-04 1.5726e-03 -6.0000e+00 6.7217e-03 3.2429e-04 -4.6572e-05 8.0765e-05 2.0321e-05 -6.0000e+00 5.2040e-04 4.6710e-03 5.1337e-05 12 9 1 12 33 1 99.97 23.77 -0.19 0.00467 0.00432 8 3 1 5 0 3000.600 26.41 20.00 23.77 23.78 6.0 999.19 -8877 110 5694 -6477 -2581 -3353 -1279 -1741 -3585 -1597 -3511 -1779 -467 2384 649 1132 -1124 1820 3402 685 2350 1358 2193 726 721 912 838 -1014 -1397 3271 -224 -258 726 -1737 -2968 -1453 -3991 -1906 -1203 680 -1179 250 42 204 701 614 388 -1129 -1084 -416 206 332 1110 2085 1599 1002 834 -631 166 275 662 2563 1973 1577 996 -430 -785 -767 1315 996 209 1229 256 23 -1570 -1260 -1248 -1461 -2740 -1814 -1395 -2088 -2018 -1203 -890 -167 134 602 993 882 92 -332 -541 -768 -884 -108 709 57 606 446 -866 -1233 -1088 -804 -1172 -1151 -409 105 655 696 1570 969 431 -73 -435 413 93 277 461 768 416 688 841 461 546 -147 -14 -140 592 40 -636 -723 -292 -414 -130 -25 258 419 16 -7 -435 -475 -463 -2010 25 1247 -1529 -533 -657 -251 -373 -856 -393 -887 -450 -126 706 200 379 -404 657 1249 266 911 532 861 300 310 402 368 -433 -562 1222 -89 -109 323 -809 -1349 -640 -1925 -944 -696 445 -796 175 30 148 507 441 274 -787 -737 -281 143 244 851 1655 1313 842 710 -542 140 231 571 2143 1780 1497 944 -386 -660 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