File name: Pandora75s1_EssexMD_20240717_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T073401.8Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240717_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: 20240717 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 20240717T111450.1Z 8964.468635 98 1 51.59 2 76.35 73.80 148.39 285.55 0.00 1 0.00 1 0 17 2.387e-01 9.603e-03 5.708e-02 1.738e-03 5.286910e-01 9.422146e-04 6.406342e-03 -6.000000e+00 1.456094e-01 232.68 -2.00 3.48 -2.00 320.15 0.00e+00 2.962044e-03 3.376991e-04 3.082912e-03 -6.000000e+00 6.549027e-03 290.53 -2.00 20.00 -2.00 319.38 0.00e+00 4.134 0.001 302.00 328.00 3 2.5222e+00 2.8629e-03 5.1437e-02 -6.0000e+00 3.6468e-01 4.5979e-03 3.5111e-03 3.2405e-02 -6.0000e+00 3.9355e-01 -5.3948e-02 2.8896e-03 1.5377e-02 -6.0000e+00 2.3486e-01 1.4438e-02 1.4605e-03 3.8971e-03 -6.0000e+00 9.7646e-02 3.8619e-04 2.3495e-05 5.3761e-05 7.3478e-05 -6.0000e+00 7.3995e-03 -4.2846e-03 4.0717e-05 12 9 8 11 8 0 99.95 25.23 0.66 -0.00428 -0.00411 125 20 1 5 0 412.660 27.56 20.00 25.23 36.20 4.4 1065.77 -134707 -72220 78227 -36163 -80309 -74428 -46851 -86904 -60934 -47428 -58310 -73724 -54440 -48007 -32588 -18381 -12984 -9411 -30367 -17942 13330 5493 -870 -6330 -3725 -1884 -11535 -13903 -22111 -5365 -3346 -20760 98 -3003 -9309 -9274 -4097 858 5175 -155 -1117 533 117 2594 388 4517 -1117 2729 6 1836 2146 -45 3001 5507 4722 3143 463 526 627 587 476 2980 2927 3269 1203 -351 692 412 1622 2200 1811 2375 911 -714 8 -976 -2101 -2174 -1934 -2628 -2230 -1922 -1689 -1695 -674 254 -32 1572 1208 824 726 -58 -567 -802 -999 23 803 134 290 -510 -1206 -1886 -1399 -1248 -1481 -1411 -819 -603 409 1034 1130 646 334 -102 -478 -201 180 325 458 569 639 631 1017 657 547 -285 -78 134 312 -147 -450 -716 -445 -96 66 22 366 541 173 202 -401 -401 -639 -2864 -968 253 -404 -1320 -1123 -564 -1738 -1053 -780 -1136 -1849 -1347 -1383 -989 -573 -433 -333 -1436 -794 447 203 -36 -292 -179 -94 -647 -787 -1341 -288 -199 -1703 7 -250 -824 -822 -374 87 607 -23 -187 95 22 493 77 874 -232 557 1 412 523 -12 872 1684 1402 986 153 174 205 192 161 1069 1170 1428 559 -163 311 189 797 1211 1102 1510 588 -449 5 -518 -1051 -1084 -1045 -1646 -1471 -1427 -1368 -1468 -618 227 -31 1507 1165 772 692 -52 -488 -702 -954 23 901 158 366 -649 -1466 -2290 -1590 -1427 -1802 -1690 -1033 -811 590 1515 1789 1068 551 -162 -721 -290 261 490 729 942 1064 1028 1599 998 797 -432 -116 192 487 -253 -789 -1331 -864 -184 136 47 761 1142 365 437 -832 -795 -1250 SS 20240717T114153.0Z 8964.487419 112 1 51.64 2 71.28 77.71 153.13 292.47 0.00 1 0.00 1 0 17 5.169e-02 7.897e-03 5.384e-03 6.730e-04 4.058004e-01 3.572676e-04 4.712030e-03 -6.000000e+00 3.152071e-02 232.68 -2.00 3.48 -2.00 318.73 0.00e+00 1.460356e-03 7.952856e-05 9.412601e-04 -6.000000e+00 1.417881e-03 290.53 -2.00 20.00 -2.00 317.85 0.00e+00 3.076 0.000 302.00 328.00 3 1.9946e+00 9.8911e-04 3.7529e-02 -6.0000e+00 7.8943e-02 -1.4126e-02 1.1338e-03 2.1422e-02 -6.0000e+00 8.5201e-02 -1.4344e-02 7.5915e-04 1.0353e-02 -6.0000e+00 5.0844e-02 -7.6274e-04 3.9036e-04 2.8319e-03 -6.0000e+00 2.1133e-02 2.0696e-03 -2.2910e-05 2.1177e-05 3.4744e-05 -6.0000e+00 1.6022e-03 -3.0662e-03 1.6188e-05 11 8 0 10 0 0 99.98 25.09 0.48 -0.00307 -0.00324 307 50 1 5 0 168.210 27.45 19.99 25.09 36.84 4.3 1069.45 -22438 -12378 -5630 -14051 -18736 -22897 -16435 -17806 -12644 -15173 -14371 -15157 -13056 -9462 -3293 -2149 -682 1091 -1587 278 1285 1166 656 274 -199 -525 -2306 -2509 -2696 -1941 -1717 -1512 21 -2172 -4316 -4026 -3337 -2114 -290 76 -332 426 164 670 313 964 322 115 -66 386 860 875 1731 1700 1398 1112 754 199 -144 407 1018 2148 2429 2293 1084 103 61 16 898 1563 1060 1212 665 446 -20 -1093 -1833 -2311 -2331 -2001 -1823 -2082 -1969 -1672 -576 -62 471 1073 1037 781 588 54 -533 -473 -472 -21 399 334 160 -508 -1092 -1715 -1104 -733 -1122 -1263 -719 -298 529 943 856 611 378 -32 -218 -59 30 331 537 431 398 564 709 557 467 30 -44 192 262 -34 -307 -411 -371 -4 32 131 392 401 197 57 -322 -641 -799 -797 -455 -206 -551 -718 -882 -620 -756 -569 -756 -741 -843 -817 -681 -264 -196 -67 113 -180 33 154 141 82 37 -28 -79 -358 -380 -396 -287 -275 -271 4 -456 -912 -845 -683 -496 -80 25 -121 151 61 253 120 371 125 45 -26 156 370 409 865 906 724 597 416 111 -79 223 571 1283 1586 1501 735 68 42 11 604 1169 815 978 541 350 -16 -789 -1230 -1640 -1632 -1579 -1524 -1948 -1871 -1685 -614 -66 526 1229 1191 869 613 55 -520 -459 -490 -22 486 427 207 -658 -1421 -2080 -1337 -899 -1389 -1660 -939 -410 773 1406 1296 952 578 -49 -314 -85 43 471 808 682 608 890 1085 820 692 43 -62 273 380 -53 -492 -690 -617 -6 58 242 742 774 381 107 -584 -1173 -1444 SS 20240717T120242.9Z 8964.501885 118 1 51.58 2 67.32 80.73 156.61 299.12 0.00 1 0.00 1 0 17 2.244e-02 7.835e-03 1.305e-03 3.114e-04 3.449616e-01 1.655107e-04 4.009797e-03 -6.000000e+00 1.368171e-02 232.68 -2.00 3.48 -2.00 317.75 0.00e+00 1.155183e-03 2.764267e-05 5.196697e-04 -6.000000e+00 6.155063e-04 290.53 -2.00 20.00 -2.00 316.86 0.00e+00 2.572 0.000 302.00 328.00 3 1.1090e+00 4.4515e-04 3.1445e-02 -6.0000e+00 3.4265e-02 -1.7863e-02 5.0218e-04 1.7881e-02 -6.0000e+00 3.6985e-02 -8.4637e-03 3.0509e-04 8.6162e-03 -6.0000e+00 2.2071e-02 -2.0997e-03 1.5010e-04 2.3577e-03 -6.0000e+00 9.1709e-03 8.8361e-03 -7.0018e-05 9.8405e-06 2.9325e-05 -6.0000e+00 6.9560e-04 -1.3050e-03 1.2775e-05 11 8 0 10 0 0 44.52 24.78 0.48 -0.00131 -0.00183 772 126 1 5 0 66.800 27.26 19.99 24.78 39.05 4.3 1085.52 -5333 -3533 -3721 -6136 -8639 -8788 -7738 -6275 -5195 -6321 -7140 -6721 -5363 -2976 -823 -171 46 807 1127 1217 1352 1151 1404 1112 1028 774 -628 -1669 -1366 -1078 -325 303 164 -1629 -3718 -3815 -3068 -1717 -94 -153 -343 30 187 392 470 631 221 -166 -259 94 627 1008 1327 1334 1088 1019 796 220 52 445 1051 1884 2294 1952 991 83 -246 -71 762 1301 960 1004 720 319 -128 -1022 -1765 -2164 -2130 -1837 -1812 -1953 -2076 -1704 -756 -293 420 865 778 649 500 -52 -525 -440 -295 -78 422 473 114 -478 -1118 -1596 -1104 -701 -955 -1041 -577 -329 400 864 878 626 398 62 -175 -96 132 435 483 436 429 653 664 632 555 107 26 263 272 38 -229 -445 -312 -18 93 98 363 336 128 45 -378 -758 -858 -371 -272 -302 -499 -667 -651 -589 -520 -473 -624 -734 -724 -643 -407 -117 -27 8 146 215 242 276 238 296 248 243 191 -159 -412 -322 -254 -81 83 45 -473 -1081 -1102 -947 -605 -36 -68 -159 15 95 203 245 330 116 -86 -135 50 350 604 792 844 720 695 520 145 36 307 698 1331 1758 1510 784 63 -190 -54 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