File name: Pandora187s1_PittsburghPA_20230809_L2Fit_fwvt1c5d20230706p1-8.txt File generation date: 20241126T175055.2Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20230809_L1_smca1c5d20230706p1-8.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: 20230809 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: 1607 1755 Nominal wavelengths inside fitting window [nm]: 492.0774 492.1992 492.3211 492.4429 492.5647 492.6865 492.8082 492.9300 493.0517 493.1735 493.2952 493.4168 493.5385 493.6602 493.7818 493.9034 494.0250 494.1466 494.2682 494.3897 494.5113 494.6328 494.7543 494.8758 494.9972 495.1187 495.2401 495.3615 495.4829 495.6043 495.7257 495.8470 495.9684 496.0897 496.2110 496.3323 496.4535 496.5748 496.6960 496.8172 496.9384 497.0596 497.1807 497.3019 497.4230 497.5441 497.6652 497.7863 497.9074 498.0284 498.1494 498.2704 498.3914 498.5124 498.6334 498.7543 498.8752 498.9961 499.1170 499.2379 499.3588 499.4796 499.6004 499.7212 499.8420 499.9628 500.0835 500.2043 500.3250 500.4457 500.5664 500.6870 500.8077 500.9283 501.0489 501.1695 501.2901 501.4107 501.5312 501.6518 501.7723 501.8928 502.0133 502.1337 502.2542 502.3746 502.4950 502.6154 502.7358 502.8561 502.9765 503.0968 503.2171 503.3374 503.4577 503.5779 503.6982 503.8184 503.9386 504.0588 504.1790 504.2991 504.4193 504.5394 504.6595 504.7796 504.8996 505.0197 505.1397 505.2597 505.3797 505.4997 505.6197 505.7396 505.8595 505.9795 506.0994 506.2192 506.3391 506.4589 506.5788 506.6986 506.8184 506.9381 507.0579 507.1776 507.2974 507.4171 507.5367 507.6564 507.7761 507.8957 508.0153 508.1349 508.2545 508.3741 508.4936 508.6132 508.7327 508.8522 508.9716 509.0911 509.2105 509.3300 509.4494 509.5688 509.6882 509.8075 509.9269 --------------------------------------------------------------------------------------- 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: Water vapor slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor 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: Water vapor effective temperature [K] Column 28: Independent uncertainty of water vapor 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 water vapor 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 water vapor 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 water vapor fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for water vapor [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Nitrogen dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen 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: Nitrogen dioxide effective temperature [K] Column 39: Independent uncertainty of nitrogen 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 nitrogen 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 nitrogen 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 nitrogen dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for nitrogen dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 45: 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 46: 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 47: 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 48: 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 49: Ozone effective temperature [K] Column 50: 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 51: 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 52: 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 53: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 54: 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 55: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 56: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 57: Lower limit used for wavelength scaling [nm] Column 58: Upper limit used for wavelength scaling [nm] Column 59: Order of smoothing polynomial Column 60: Smoothing polynomial coefficient, order 0 Column 61: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 62: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 63: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 64: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 65: Smoothing polynomial coefficient, order 1 Column 66: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 67: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 68: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 69: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 70: Mean value of measured data inside fitting window [same units as measurements] Column 71: Wavelength change polynomial coefficient, order 0 Column 72: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 76: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 77: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 78: 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 79: 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 80: 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 81: 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 82: 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 83: 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 84: Atmospheric variability [%], 999=no atmospheric variability was determined Column 85: Wavelength effective temperature [°C], 999=no effective temperature given Column 86: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 87: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 88: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 89: Number of bright count cycles Column 90: Number of dark count cycles Column 91: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 92: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 93: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 94: Integration time [ms] Column 95: Temperature at electronics board [°C], 999=no temperature signal Column 96: Spectrometer control temperature [°C], 999=no temperature signal Column 97: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 98: Temperature in head sensor [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-249: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 250-398: 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 --------------------------------------------------------------------------------------- SQ 20230809T110956.8Z 8621.465241 219 1 25.87 2 82.66 75.40 20.52 149.51 0.00 1 0.00 1 0 22 2.817e-03 2.812e-03 1.631e-04 1.630e-04 1.158843e+04 1.332650e+01 7.341268e+02 -6.000000e+00 1.888077e+02 289.09 -2.00 20.00 -2.00 505.33 0.00e+00 1.559263e-03 4.974544e-06 9.872989e-05 -6.000000e+00 8.679191e-05 289.09 -2.00 20.00 -2.00 500.67 0.00e+00 7.269423e-01 3.473432e-03 8.094410e-02 -6.000000e+00 6.106316e-02 231.82 -2.00 3.49 -2.00 502.23 0.00e+00 7.225 0.007 489.00 513.00 1 2.0566e+00 2.6976e-04 1.2389e-02 -6.0000e+00 4.7505e-03 -3.1130e-02 6.4323e-05 1.9639e-03 -6.0000e+00 1.1620e-03 8.3815e-02 1.2459e-03 2.4469e-05 5.4471e-05 -6.0000e+00 4.7438e-04 6.0315e-03 -3.8654e-05 10 0 0 10 0 0 -58.26 17.62 1.76 0.00603 0.01467 659 202 1 4 0 39.070 21.06 15.00 17.62 26.34 27.2 973.88 -442 -206 14 54 100 226 446 460 319 191 122 17 -126 -262 -214 -163 -51 75 124 44 31 188 352 395 410 309 196 11 -232 -386 -325 -114 105 238 96 -155 -274 -211 -132 24 82 176 242 262 254 172 75 -57 -229 -428 -595 -600 -460 -280 -102 -46 -56 -48 7 240 419 475 419 273 116 5 -37 -87 -201 -297 -266 -136 -74 -57 -195 -347 -479 -393 -321 -252 -254 -302 -280 -223 -150 -198 -192 -147 14 213 437 498 416 201 -5 -105 -116 -219 -404 -566 -501 -332 -199 -181 -375 -539 -542 -350 -86 170 209 249 290 359 508 614 635 500 310 149 162 252 425 489 362 187 139 132 148 85 -95 -248 -225 -114 -55 43 -36 -48 8 92 108 142 125 96 29 -109 -290 -349 -253 -416 -196 13 53 98 226 452 469 324 194 123 17 -124 -258 -210 -161 -51 76 124 45 32 192 361 407 421 317 200 12 -231 -381 -319 -113 104 241 96 -156 -276 -212 -136 25 84 177 245 267 260 176 76 -57 -233 -429 -588 -587 -451 -276 -102 -45 -56 -49 8 244 428 485 427 278 117 5 -38 -88 -201 -296 -265 -135 -74 -57 -195 -346 -474 -385 -313 -245 -248 -297 -277 -222 -146 -194 -188 -145 14 210 431 490 408 194 -5 -100 -109 -209 -383 -539 -470 -318 -195 -177 -373 -541 -546 -353 -87 167 208 249 293 365 519 630 652 513 316 151 162 252 422 485 360 187 139 131 147 84 -94 -243 -220 -112 -55 44 -37 -49 8 95 112 148 130 100 30 -111 -295 -354 -256 SQ 20230809T111023.1Z 8621.465545 219 2 25.91 2 82.58 75.47 20.48 149.77 0.00 1 0.00 1 0 22 2.801e-03 2.787e-03 1.605e-04 1.604e-04 1.153105e+04 1.316306e+01 7.300163e+02 -6.000000e+00 1.876949e+02 289.09 -2.00 20.00 -2.00 505.34 0.00e+00 1.538039e-03 4.903911e-06 9.770375e-05 -6.000000e+00 8.627927e-05 289.09 -2.00 20.00 -2.00 500.67 0.00e+00 7.234918e-01 3.425548e-03 8.002302e-02 -6.000000e+00 6.070073e-02 231.82 -2.00 3.49 -2.00 502.24 0.00e+00 7.158 0.007 489.00 513.00 1 2.0368e+00 2.6591e-04 1.2266e-02 -6.0000e+00 4.7223e-03 -3.0834e-02 6.3340e-05 1.9419e-03 -6.0000e+00 1.1550e-03 8.6337e-02 1.1568e-03 2.4077e-05 5.3931e-05 -6.0000e+00 4.7157e-04 5.0796e-03 -2.7801e-05 10 0 0 10 0 0 -55.39 17.63 1.75 0.00508 0.01310 659 202 1 4 0 39.070 21.06 15.00 17.63 26.34 27.2 973.88 -420 -188 11 76 77 240 428 458 321 185 124 1 -107 -226 -207 -175 -30 85 132 61 35 177 335 406 431 323 182 40 -229 -359 -327 -124 89 246 114 -175 -261 -181 -136 -3 116 157 225 264 241 181 57 -56 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-255 -194 -123 -39 22 -14 -53 12 82 114 142 152 85 29 -127 -308 -333 -231 SQ 20230809T112200.8Z 8621.473620 222 1 26.01 2 80.43 77.28 19.48 156.91 0.00 1 0.00 1 0 22 2.712e-03 2.709e-03 1.572e-04 1.570e-04 9.645736e+03 1.264999e+01 6.117193e+02 -6.000000e+00 1.817097e+02 289.09 -2.00 20.00 -2.00 505.33 0.00e+00 1.383293e-03 4.789193e-06 8.744524e-05 -6.000000e+00 8.352550e-05 289.09 -2.00 20.00 -2.00 500.66 0.00e+00 5.408397e-01 3.357759e-03 6.974990e-02 -6.000000e+00 5.876215e-02 231.82 -2.00 3.49 -2.00 502.22 0.00e+00 5.730 0.003 489.00 513.00 1 2.2113e+00 2.6090e-04 1.0104e-02 -6.0000e+00 4.5716e-03 -3.2339e-02 6.2273e-05 1.6614e-03 -6.0000e+00 1.1181e-03 9.0069e-02 9.2765e-04 2.4080e-05 4.9270e-05 -6.0000e+00 4.5653e-04 5.8198e-03 -2.7309e-05 10 0 0 10 0 0 -62.91 17.62 1.64 0.00582 0.01225 700 215 1 4 0 36.770 21.06 15.00 17.62 27.49 27.0 981.11 -410 -183 14 31 76 204 397 459 319 191 127 17 -112 -209 -207 -178 -44 88 122 61 32 154 338 399 427 319 218 30 -222 -341 -308 -114 117 226 70 -194 -289 -191 -131 -14 97 161 223 242 242 166 73 -60 -198 -392 -569 -579 -451 -265 -106 -70 -55 -56 17 215 397 454 423 280 93 -10 -48 -71 -190 -291 -248 -113 -57 -44 -188 -355 -455 -389 -286 -234 -232 -298 -298 -219 -184 -206 -203 -155 -22 180 355 456 380 169 -19 -103 -137 -231 -386 -525 -506 -303 -175 -164 -367 -538 -507 -344 -46 159 184 257 287 331 483 574 600 487 319 194 179 270 423 471 329 207 164 177 181 80 -92 -213 -216 -134 -24 25 -38 -59 2 39 91 144 135 78 8 -126 -315 -338 -223 -390 -175 14 30 75 206 405 457 318 190 128 17 -111 -207 -205 -177 -44 88 123 62 32 159 350 413 442 330 223 30 -222 -338 -304 -113 117 231 71 -196 -293 -193 -132 -14 98 162 227 248 249 170 75 -60 -196 -393 -563 -568 -443 -262 -106 -70 -55 -57 17 220 406 464 432 285 94 -10 -48 -72 -190 -291 -247 -112 -57 -44 -189 -354 -451 -382 -279 -228 -227 -294 -296 -213 -180 -202 -200 -153 -22 178 353 452 376 166 -19 -100 -130 -217 -361 -492 -481 -293 -169 -162 -368 -543 -498 -338 -45 157 184 259 291 338 496 591 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