File name: Pandora55s1_QueensNY_20240704_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240705T050841.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240704_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240704 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240704T111047.7Z 8951.465829 131 1 50.33 2 73.37 73.95 56.19 80.71 0.00 1 0.00 1 0 17 3.873e-01 3.406e-02 1.391e-01 6.751e-03 4.343435e-01 3.679797e-03 5.230749e-03 -6.000000e+00 2.379222e-01 232.89 -2.00 3.51 -2.00 319.85 0.00e+00 3.058953e-03 1.110659e-03 1.827932e-03 -6.000000e+00 1.100155e-02 288.60 -2.00 20.00 -2.00 319.07 0.00e+00 3.438 0.001 302.00 328.00 3 4.8760e+00 1.0739e-02 4.1863e-02 -6.0000e+00 5.9743e-01 9.0350e-02 1.2746e-02 2.4417e-02 -6.0000e+00 6.4589e-01 -1.8850e-01 9.0482e-03 1.2255e-02 -6.0000e+00 3.8305e-01 9.3416e-02 4.5548e-03 3.5994e-03 -6.0000e+00 1.6029e-01 7.8170e-05 -4.3810e-04 2.1722e-04 5.3975e-05 -6.0000e+00 1.1942e-02 1.5299e-02 0.0000e+00 12 9 8 11 12 0 99.99 22.82 0.51 0.01530 0.01201 30 6 1 5 0 1677.390 26.11 19.97 22.82 28.14 37.6 1090.32 -77489 900000 -114230 181385 247140 -35340 900000 57237 2188 -89716 -15632 -82390 -50489 900000 14107 -42799 40378 900000 159264 -11270 36050 69239 -49218 5822 -1850 900000 361 -12006 -36028 6772 24042 6506 5479 10310 109230 -13362 -9775 28295 35045 -4058 24257 -11612 8430 3305 34463 -7940 23400 20744 24097 1322 -1134 -7060 27835 23835 7059 20659 8404 13099 4436 2422 15001 2036 7692 10350 -9046 10554 -2960 533 4042 -3272 2816 5591 -6438 11474 -2684 3776 9521 -1287 -6692 -9149 5702 -3731 -1478 -5307 -1768 -6923 -2591 -5166 -824 -1922 -3199 -551 -1629 -1118 -603 -3150 -2710 -680 -1019 28 -1281 43 3327 1352 -630 -441 -982 342 4296 1480 -2086 783 -760 -1267 -494 895 3510 189 -135 -2128 705 2520 4743 501 1251 -1476 754 726 -1354 1643 3199 1100 1335 796 -398 405 382 -128 -1830 -1018 -1365 -104 -1705 -4593 900000 -9892 1193 1626 -1313 900000 1081 73 -7072 -651 -7049 -3798 900000 793 -4427 2082 900000 3053 -1052 2201 3146 -6811 512 -182 900000 35 -1246 -4633 618 2086 740 673 1216 5075 -1946 -1531 3666 4986 -931 4641 -3233 2007 836 6607 -2253 4999 4550 5220 369 -347 -2459 7516 7037 2520 6706 3073 4561 1652 921 5311 879 3446 4801 -5033 4732 -1452 258 2060 -1975 1731 3456 -4387 6371 -1578 1922 4321 -644 -3794 -5995 3666 -2869 -1191 -4652 -1592 -6905 -2607 -5436 -832 -1902 -3030 -476 -1356 -932 -537 -3175 -3021 -815 -1292 35 -1550 48 3467 1454 -727 -536 -1252 453 5821 2195 -3370 1269 -1233 -1984 -731 1260 4835 276 -208 -3466 1138 3968 7168 761 1827 -2126 1038 1013 -2035 2594 5275 1914 2387 1482 -782 823 796 -270 -3931 -2141 -2793 -204 -3305 SS 20240704T112958.4Z 8951.479149 144 1 50.49 2 69.85 76.77 52.69 83.34 0.00 1 0.00 1 0 25 2.964e-02 6.300e-03 7.011e-03 1.031e-03 3.897803e-01 5.466047e-04 4.559913e-03 -6.000000e+00 1.793778e-02 232.89 -2.00 3.51 -2.00 318.51 0.00e+00 5.778976e-04 1.129992e-04 1.506702e-04 -6.000000e+00 7.998809e-04 288.61 -2.00 20.00 -2.00 317.67 0.00e+00 2.872 0.000 302.00 328.00 3 2.4904e+00 1.5009e-03 3.5461e-02 -6.0000e+00 4.4996e-02 -1.4852e-02 1.7098e-03 2.0664e-02 -6.0000e+00 4.8526e-02 -1.0704e-02 1.1343e-03 9.9489e-03 -6.0000e+00 2.8891e-02 -1.8141e-05 5.8362e-04 2.8323e-03 -6.0000e+00 1.2160e-02 1.5739e-03 3.1408e-04 3.1870e-05 3.2881e-05 -6.0000e+00 8.9169e-04 1.4000e-02 0.0000e+00 11 1 0 11 4 0 98.67 22.83 0.24 0.01400 0.01636 118 22 1 5 0 427.830 26.11 20.00 22.83 28.86 37.7 1094.62 -10560 11975 -14705 -5733 -3404 -8583 6531 -3041 -6324 -11818 -5534 -7136 -6984 7488 -1307 -4710 343 5674 3495 -1115 1363 583 -2329 -131 2 3892 -1574 -2314 -1895 231 2363 975 -2030 -1078 2314 -879 -1884 1090 -414 -1806 -690 -2115 -1439 -1013 397 -1389 -381 -459 875 169 599 -180 1267 1198 704 1303 350 932 563 1132 1467 1390 35 428 -430 1044 445 1563 1049 270 76 -333 -514 -242 -455 235 1150 983 228 -360 -262 -1475 -1182 -1243 -995 -714 -657 -304 -502 7 353 643 1248 1467 1051 734 725 -365 -732 -633 -585 -76 754 -132 -956 -523 -800 -4 -68 -21 -492 -73 -211 -115 488 993 961 550 -157 -671 -570 -219 -48 132 308 272 1330 756 377 565 128 309 186 230 -261 5 123 -403 -485 -247 -336 -255 231 -484 474 -740 -251 -139 -377 276 -157 -363 -744 -343 -498 -567 623 -134 -543 40 671 442 -152 185 81 -348 -21 0 632 -265 -378 -303 38 418 193 -438 -232 474 -190 -459 301 -134 -659 -268 -864 -600 -425 166 -589 -160 -193 370 74 279 -90 659 652 396 748 204 542 325 654 873 881 24 305 -308 713 297 1051 757 212 63 -283 -436 -198 -355 170 788 671 166 -287 -227 -1376 -1156 -1265 -1055 -788 -751 -352 -580 8 381 656 1222 1439 1085 815 867 -467 -974 -838 -747 -92 882 -159 -1195 -678 -1070 -6 -97 -32 -768 -115 -330 -175 707 1393 1348 791 -236 -1040 -893 -341 -74 197 448 385 1830 1054 548 864 204 504 310 394 -461 9 228 -757 -915 -461 -614 -453 405 SS 20240704T114026.0Z 8951.486412 147 1 9.92 2 67.92 78.31 50.78 84.82 0.00 1 0.00 1 0 25 3.239e-02 6.834e-03 1.200e-02 2.422e-03 3.576720e-01 1.283455e-03 4.203680e-03 -6.000000e+00 1.960540e-02 232.89 -2.00 3.51 -2.00 318.08 0.00e+00 4.921855e-04 2.322528e-04 1.203463e-04 -6.000000e+00 8.742768e-04 288.61 -2.00 20.00 -2.00 317.23 0.00e+00 2.637 0.000 302.00 328.00 3 2.8092e+00 3.4794e-03 3.2527e-02 -6.0000e+00 4.9179e-02 -1.1430e-02 3.9301e-03 1.8870e-02 -6.0000e+00 5.3038e-02 -1.5891e-02 2.4743e-03 9.0981e-03 -6.0000e+00 3.1578e-02 3.9107e-03 1.2507e-03 2.5213e-03 -6.0000e+00 1.3290e-02 1.4982e-03 2.8440e-04 7.4974e-05 2.9963e-05 -6.0000e+00 9.7462e-04 1.4349e-02 0.0000e+00 12 9 1 12 5 1 99.47 22.82 0.29 0.01435 0.01649 16 16 1 5 0 583.010 26.11 20.02 22.82 29.54 37.4 1097.47 -14173 13461 -19894 -7688 1157 -6456 8628 -4544 -3325 -8227 1448 -8349 -796 5637 424 -1301 -7418 6970 2116 -1991 679 1878 -3746 -118 -1069 5927 -2778 -482 -207 1562 2758 -219 -42 -1595 3238 -2186 87 475 383 -1505 -881 -1762 -2066 -1253 -330 -397 -534 -350 610 16 690 319 2028 1741 1389 1300 668 736 1128 948 1658 1733 -178 -394 -220 770 753 2056 582 566 -37 -151 -923 -690 -257 58 254 851 55 -663 -432 -1768 -997 -1257 -587 -594 -545 -526 -559 -70 616 -340 776 1321 767 610 543 -461 -717 -611 -699 226 326 204 -789 -405 -821 -162 527 -135 -280 -34 136 -53 408 1002 642 790 -55 -593 -496 239 -268 249 171 376 1225 816 380 286 78 310 286 236 -448 -128 241 -723 -555 -90 -425 -8 181 -979 764 -1515 -491 65 -397 507 -336 -262 -699 117 -810 -83 644 57 -192 -1225 1065 351 -354 120 332 -724 -23 -225 1195 -593 -97 -41 314 596 -53 -11 -416 790 -573 25 156 144 -638 -397 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