File name: Pandora55s1_QueensNY_20230822_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230823T055006.2Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230822_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: 20230822 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 20230822T113934.8Z 8634.485819 80 1 49.54 2 74.57 87.62 138.51 62.51 0.00 1 0.00 1 0 17 3.346e-01 2.902e-02 1.123e-01 5.542e-03 4.435416e-01 2.984953e-03 5.208044e-03 -6.000000e+00 2.033706e-01 231.25 -2.00 3.51 -2.00 319.73 0.00e+00 4.274888e-03 8.900732e-04 8.848850e-04 -6.000000e+00 9.383799e-03 289.81 -2.00 20.00 -2.00 318.93 0.00e+00 3.689 0.001 302.00 328.00 3 4.4468e+00 8.6503e-03 4.3582e-02 -6.0000e+00 5.0757e-01 1.0851e-01 1.0229e-02 2.3378e-02 -6.0000e+00 5.4859e-01 -1.4361e-01 7.3353e-03 1.2159e-02 -6.0000e+00 3.2616e-01 6.8131e-02 3.7532e-03 4.8607e-03 -6.0000e+00 1.3709e-01 9.1817e-05 -8.8906e-04 1.7461e-04 5.9648e-05 -6.0000e+00 1.0313e-02 1.6369e-02 0.0000e+00 12 9 9 12 36 4 99.88 19.12 0.44 0.01637 0.00969 18 3 1 5 0 2751.860 26.00 19.97 19.12 25.42 35.9 1053.04 -80920 -37684 -95274 930 182048 -33508 900000 18470 21283 -72208 -22162 -79343 -53621 900000 29848 -38827 -57923 4929 124335 221234 24327 42093 -39219 10666 -5276 900000 8551 -15622 -25725 6285 19547 11979 -18066 13808 -9677 -3580 -7384 7465 33319 -4992 17660 -12311 703 3178 23092 -5795 21423 15594 18073 7002 258 -4672 23969 13777 5680 11904 7653 10986 825 780 11774 3092 4715 7188 -9501 10321 -2881 1359 3901 -3358 2465 4819 -4912 9336 -2736 1650 8972 -1861 -5547 -7634 3441 -692 -833 -6481 -594 -5602 -1689 -4334 -905 -1278 -1332 422 1203 -397 -6366 -2517 -2453 155 -80 -989 -608 -49 2130 1883 36 -965 -618 531 4105 1861 -1626 1287 -579 -912 -487 487 2218 461 23 -2487 -158 1880 3637 -201 -909 162 1599 -3 -1222 1612 2092 1142 1119 1324 -64 719 346 172 -2010 -919 -1045 -334 -1474 -4219 -1414 -6044 23 983 -1065 900000 430 514 -4257 -862 -5888 -3736 900000 1331 -3615 -6911 348 3057 2265 1569 2309 -4722 852 -509 900000 729 -1619 -2918 564 1734 1280 -2746 1580 -1339 -478 -1131 1170 4813 -1160 3617 -3484 183 819 5027 -1651 4787 3707 4292 1927 81 -1656 6992 4645 2132 4355 2933 4065 329 315 4480 1378 2261 3587 -5556 4880 -1488 686 2096 -2122 1586 3131 -3439 5537 -1683 900 4312 -988 -3272 -5159 2364 -540 -693 -5962 -550 -5695 -1733 -4642 -940 -1294 -1282 376 1018 -343 -6171 -2601 -2801 189 -103 -1282 -748 -56 2309 2072 42 -1197 -798 710 5634 2771 -2619 2086 -941 -1436 -728 698 3132 680 35 -4066 -256 2981 5569 -309 -1359 233 2209 -4 -1844 2551 3480 1986 1996 2443 -125 1437 711 358 -4263 -1902 -2108 -647 -2827 SS 20230822T114936.3Z 8634.492781 83 1 38.75 2 72.68 89.24 136.91 65.01 0.00 1 0.00 1 0 25 4.639e-02 6.499e-03 9.921e-03 1.147e-03 4.236827e-01 6.059737e-04 4.969143e-03 -6.000000e+00 2.791653e-02 231.25 -2.00 3.51 -2.00 318.74 0.00e+00 6.502554e-04 1.367540e-04 2.759155e-04 -6.000000e+00 1.258308e-03 289.81 -2.00 20.00 -2.00 317.90 0.00e+00 3.308 0.001 302.00 328.00 3 1.9797e+00 1.6742e-03 3.9920e-02 -6.0000e+00 6.9709e-02 1.5133e-02 1.9255e-03 2.2471e-02 -6.0000e+00 7.5247e-02 -3.9941e-03 1.3289e-03 1.0809e-02 -6.0000e+00 4.4899e-02 -5.4371e-03 6.9184e-04 3.1582e-03 -6.0000e+00 1.8995e-02 1.6343e-03 1.5898e-04 3.4986e-05 3.6299e-05 -6.0000e+00 1.3951e-03 1.1512e-02 0.0000e+00 12 9 1 12 5 5 96.46 19.13 0.20 0.01151 0.01271 89 22 1 5 0 428.540 26.00 20.02 19.13 25.40 35.9 1052.91 -23373 20895 -24709 -7737 -8776 -9222 6382 -6027 -6760 -13554 -8634 -11552 -7350 2266 -55 -6386 17618 3962 2802 1982 495 883 -3602 -311 -2187 4676 -2799 -719 -3386 369 1687 889 -3873 -1814 1942 -1718 -773 130 161 -2793 -442 -2437 -1033 -621 -135 -1216 -591 -112 682 625 223 437 1567 1222 685 1508 317 984 835 1253 2238 1046 563 -137 -511 1009 821 1361 996 -108 -24 -430 -737 -245 -290 657 1037 1123 243 -235 -470 -1176 -1393 -1202 -920 -1067 -464 -680 -428 -146 413 513 1458 1205 1148 843 683 -260 -622 -446 -473 135 731 -27 -968 -449 -822 -30 68 -57 -484 -299 -47 -87 555 777 868 395 -235 -735 -607 -136 -191 124 58 359 1301 954 365 572 208 303 175 440 -273 -128 162 -412 -552 -255 -169 -218 129 -890 568 -1026 -260 -284 -309 205 -245 -299 -667 -428 -660 -476 159 -5 -612 1458 393 296 219 57 102 -456 -41 -310 641 -405 -99 -473 52 262 155 -752 -350 356 -334 -167 32 47 -929 -155 -910 -391 -238 -52 -474 -229 -44 268 256 97 204 767 628 364 822 176 544 456 685 1257 632 365 -93 -352 666 530 889 698 -83 -20 -357 -608 -196 -219 463 693 749 173 -184 -401 -1081 -1345 -1207 -962 -1166 -521 -778 -488 -163 439 519 1412 1176 1177 933 815 -333 -827 -592 -605 164 857 -33 -1205 -579 -1095 -41 97 -86 -756 -475 -73 -132 813 1104 1232 575 -356 -1149 -958 -212 -293 187 85 512 1804 1338 535 883 334 503 296 764 -491 -237 305 -787 -1058 -482 -313 -393 229 SS 20230822T115616.4Z 8634.497412 87 1 34.51 2 71.41 90.33 135.82 66.60 0.00 1 0.00 1 0 25 3.589e-02 6.645e-03 8.271e-03 1.231e-03 3.970991e-01 6.489116e-04 4.671990e-03 -6.000000e+00 2.160220e-02 231.25 -2.00 3.51 -2.00 318.46 0.00e+00 4.373145e-04 1.338315e-04 2.282291e-04 -6.000000e+00 9.737288e-04 289.81 -2.00 20.00 -2.00 317.60 0.00e+00 3.097 0.000 302.00 328.00 3 2.2468e+00 1.7744e-03 3.7364e-02 -6.0000e+00 5.3942e-02 1.3051e-02 2.0254e-03 2.0977e-02 -6.0000e+00 5.8228e-02 -6.5186e-03 1.3406e-03 1.0102e-02 -6.0000e+00 3.4744e-02 -2.2506e-03 6.9220e-04 2.8726e-03 -6.0000e+00 1.4698e-02 1.5875e-03 1.6941e-04 3.7622e-05 3.3665e-05 -6.0000e+00 1.0796e-03 1.1785e-02 0.0000e+00 12 9 1 12 5 5 99.42 19.08 0.18 0.01179 0.01306 69 19 1 5 0 490.470 26.00 20.02 19.08 25.47 36.0 1053.72 -17912 14904 -19847 -5895 -9711 -7780 1154 -3545 -9429 -11757 -6097 -7763 -7121 3632 291 -5692 1926 2966 4542 1620 -2 917 -2407 564 -2363 4452 -2979 -1535 -2450 1161 1944 2108 -4202 -1501 2748 -633 -442 -414 484 -2039 -415 -2522 -983 -866 822 -1439 47 -103 946 850 214 572 1379 1692 294 1397 520 1126 964 1170 1970 1169 602 -477 -369 368 761 1427 934 -142 72 -111 -748 -300 -528 619 634 1484 -75 -125 -551 -1492 -1330 -1317 -1232 -850 -473 -551 -441 -200 407 608 1515 1135 866 690 661 -287 -457 -448 -760 151 630 -17 -833 -325 -764 -70 146 -98 -478 -213 -218 49 551 794 871 580 -149 -810 -598 -126 -165 120 34 456 1209 1270 133 591 70 434 249 462 -48 -222 128 -510 -598 -246 -242 -280 158 -863 568 -1038 -256 -417 -336 51 -183 -555 -739 -380 -544 -579 315 30 -666 224 363 576 217 0 128 -364 88 -401 728 -512 -253 -401 191 350 419 -938 -330 571 -139 -108 -118 158 -757 -163 -1046 -413 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