File name: Pandora187s1_PittsburghPA_20221017_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20251128T084844.4Z 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: 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_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20221017_L1_smca1c3d20220705p1-8.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: 20221017 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]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20221017T141203.5Z 8325.591707 327 1 44.85 2 63.86 131.10 39.16 262.32 0.00 1 0.00 1 0 25 1.772e-02 6.027e-03 1.358e-02 2.294e-03 3.019522e-01 1.170023e-03 3.661069e-03 -6.000000e+00 1.018971e-02 225.70 -2.00 3.49 -2.00 318.50 0.00e+00 8.601208e-04 2.326842e-04 2.101460e-04 -6.000000e+00 4.531893e-04 282.94 -2.00 20.00 -2.00 317.75 0.00e+00 2.256 0.000 302.00 328.00 3 3.1988e+00 3.1668e-03 2.6841e-02 -6.0000e+00 2.5191e-02 7.3211e-03 3.6120e-03 1.5697e-02 -6.0000e+00 2.7351e-02 5.4913e-04 2.4081e-03 7.7209e-03 -6.0000e+00 1.6318e-02 -6.5557e-03 1.2501e-03 2.3594e-03 -6.0000e+00 6.9913e-03 1.6764e-03 -4.9335e-04 6.9510e-05 2.7364e-05 -6.0000e+00 4.9392e-04 -4.6283e-03 0.0000e+00 10 0 0 10 0 0 99.98 18.72 0.35 -0.00463 -0.00834 241 74 1 5 0 186.070 22.09 15.00 18.72 15.48 22.0 920.19 -5704 -2557 -3752 -7827 -4327 -3806 -4012 -2455 -1591 -5516 -7614 -4725 -1908 -3755 -2372 -1148 146 1058 94 1108 -69 1173 1142 1083 -76 -1477 -1510 -2909 -1339 -199 -185 1218 2041 -2475 -4085 -2399 -2638 -1506 -780 -568 -1017 -685 -466 272 510 -253 54 -518 -306 247 1180 193 950 476 1135 1271 898 669 916 910 1357 1759 2254 1362 -118 -487 -508 -152 257 487 201 318 524 326 332 376 -302 -641 -328 -1055 -1178 -1871 -2048 -1633 -753 -517 199 242 619 783 334 -271 69 -198 -206 -113 720 618 -163 -316 -710 -727 114 -144 -1075 -543 -604 -178 545 347 126 346 403 109 96 -2 -430 -217 -480 -460 -342 -96 174 284 317 -133 1149 1033 768 725 404 485 252 249 -78 -152 140 -335 -278 53 -427 -724 -307 -146 -220 -442 -213 -183 -209 -141 -100 -377 -531 -341 -154 -360 -258 -135 18 148 14 168 -11 179 181 182 -14 -277 -279 -511 -220 -33 -33 237 427 -542 -856 -503 -621 -414 -256 -213 -414 -290 -202 118 221 -110 23 -219 -128 106 538 95 494 262 637 729 523 385 517 517 807 1135 1573 1004 -86 -327 -326 -98 183 390 173 279 449 265 246 251 -188 -399 -224 -825 -1033 -1804 -1900 -1597 -785 -572 228 282 705 839 363 -271 65 -191 -217 -134 853 799 -217 -401 -837 -872 134 -182 -1334 -702 -820 -254 823 559 211 570 628 158 129 -3 -582 -312 -739 -733 -542 -148 258 402 427 -171 1580 1366 1101 1106 643 789 425 443 -147 -298 279 -679 -554 102 -789 -1303 SS 20221017T142415.7Z 8325.600182 336 1 44.01 2 62.15 133.88 41.42 264.52 0.00 1 0.00 1 0 17 4.928e-01 3.393e-02 2.426e-01 2.384e-02 2.947002e-01 1.204401e-02 3.631382e-03 -6.000000e+00 2.831827e-01 225.70 -2.00 3.49 -2.00 318.60 0.00e+00 -3.776215e-04 2.565750e-03 2.826208e-04 -6.000000e+00 1.260271e-02 282.94 -2.00 20.00 -2.00 317.88 0.00e+00 2.130 0.000 302.00 328.00 3 6.0159e+00 3.2730e-02 2.5743e-02 -6.0000e+00 7.0007e-01 5.2595e-03 3.7537e-02 1.5426e-02 -6.0000e+00 7.6032e-01 1.1934e-02 2.5573e-02 7.6680e-03 -6.0000e+00 4.5359e-01 7.2169e-03 1.3363e-02 2.1915e-03 -6.0000e+00 1.9416e-01 1.1234e-04 -9.8367e-05 7.2407e-04 2.6120e-05 -6.0000e+00 1.3740e-02 6.6678e-04 0.0000e+00 12 9 8 11 32 0 99.96 18.72 2.51 0.00067 -0.00007 11 3 2 5 0 4000.000 22.09 15.00 18.72 15.50 21.9 920.07 14297 87937 180313 190185 -56074 100452 279318 -38120 370880 -22219 912 63109 57472 -29645 -16543 1256 5726 42276 18496 42432 30125 -8803 -41400 10746 9430 -11018 14882 24711 2415 25359 -17343 -4632 -18690 25479 -4580 11509 9651 1949 -4977 7556 -6732 -6022 9574 13967 -5587 -7727 5665 -3496 1453 -7051 9487 5688 -5274 -9123 9962 -1843 7559 5502 9795 -6295 -1525 8319 3938 2062 7637 -1706 4574 3085 -2458 -2171 -972 1526 -1131 -2004 -4661 -2238 8399 -5662 -3104 -2631 -5820 -1014 332 -4327 2047 -702 3577 -2658 5630 4642 2450 4363 -5725 569 744 118 -2236 -3160 -363 4572 -908 -496 1489 2109 -3610 -3902 -5358 659 2545 71 613 1695 -1236 -3170 -149 -2004 3390 1338 2476 1244 -2063 131 -1939 109 -1227 -688 4464 5221 3249 2420 -237 194 -1259 2609 169 -2784 1092 -1141 -205 -651 580 -1504 642 2044 4191 4421 -4605 2335 6493 -3190 8621 -1955 64 2515 2767 -3938 -2197 152 694 3720 2150 4016 3251 -1403 -9554 1570 1472 -2177 2224 3118 361 3310 -3484 -892 -4469 4191 -958 2099 2019 523 -1595 2635 -2705 -2499 3749 5244 -2365 -3578 2249 -1494 587 -3202 3918 2614 -2867 -5416 5023 -1071 4041 2961 4956 -3771 -916 4923 2641 1467 4943 -1119 2691 1876 -1754 -1732 -818 1279 -952 -1609 -3500 -1472 4610 -3584 -2109 -2018 -5151 -932 317 -4596 2193 -821 4176 -3351 6402 5005 2475 3955 -5425 520 742 132 -2855 -4419 -501 5714 -1106 -558 1632 2463 -4776 -5421 -7923 964 3896 119 1050 2821 -1998 -4812 -204 -2727 4504 1928 3772 1981 -3378 205 -2979 156 -1691 -896 5444 6675 4567 3639 -379 315 -2148 4521 317 -5535 2133 -2297 -400 -1228 1037 -2666 SS 20221017T155505.5Z 8325.663258 392 1 3.61 2 52.44 157.99 58.30 278.38 0.00 1 0.00 1 0 25 1.714e-02 8.180e-03 2.290e-02 9.816e-03 2.245248e-01 4.978737e-03 2.789235e-03 -6.000000e+00 9.858167e-03 225.69 -2.00 3.49 -2.00 316.57 0.00e+00 -8.087521e-05 6.049945e-04 4.109462e-05 -6.000000e+00 4.384298e-04 282.93 -2.00 20.00 -2.00 315.88 0.00e+00 1.636 0.000 302.00 328.00 3 2.2507e+00 1.2936e-02 1.9628e-02 -6.0000e+00 2.4371e-02 1.8007e-02 1.4500e-02 1.1565e-02 -6.0000e+00 2.6461e-02 5.6808e-03 8.4813e-03 5.7309e-03 -6.0000e+00 1.5786e-02 -7.5602e-03 4.0528e-03 1.6215e-03 -6.0000e+00 6.7639e-03 8.7928e-03 -3.3320e-04 2.8764e-04 2.0694e-05 -6.0000e+00 4.7785e-04 -4.7670e-03 0.0000e+00 12 9 1 12 1 1 999.00 18.71 0.43 -0.00477 -0.00727 1 8 3 5 0 1714.150 22.09 15.00 18.71 15.65 21.9 921.01 -2292 -4773 3735 -4523 -1694 -9320 -4297 -5167 329 -3191 -3542 1957 1846 -1681 951 1747 780 1968 234 5486 51 434 -1428 -86 -699 2614 2318 1153 849 491 4477 440 146 -588 -4254 -1231 -1684 -405 460 -1351 -1158 -2454 1321 -125 -267 -524 -485 72 -517 251 192 -918 265 1408 674 857 -856 -314 602 787 1669 1947 1721 1171 -516 -477 -384 192 -260 -333 -78 -611 1655 1513 88 508 -680 -1377 143 -20 -164 -897 -2055 -1438 -101 -983 -311 470 475 942 87 -60 168 197 184 -358 589 861 -313 -291 -1139 -1938 286 -797 -792 -627 -834 244 501 -33 402 427 1187 289 207 -36 166 96 -289 -429 -738 -161 94 499 -67 -58 662 1609 1388 331 56 628 863 287 -554 -33 -159 -235 -379 -908 -224 -296 -375 -856 617 -743 -242 -1405 -661 -898 60 -618 -678 368 389 -416 257 504 235 604 76 1733 17 144 -500 -31 -268 997 867 404 280 162 1503 165 58 -235 -1649 -469 -720 -186 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