File name: Pandora21s1_Bremen_20241014_L2Fit_fwvt1c7d20231020p1-8.txt File generation date: 20241014T232007.9Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20241014_L1_smca1c7d20231020p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20241014 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 1712 1862 Nominal wavelengths inside fitting window [nm]: 492.0069 492.1275 492.2480 492.3685 492.4890 492.6094 492.7299 492.8503 492.9707 493.0911 493.2115 493.3319 493.4522 493.5725 493.6929 493.8131 493.9334 494.0537 494.1739 494.2942 494.4144 494.5346 494.6547 494.7749 494.8950 495.0152 495.1353 495.2554 495.3754 495.4955 495.6155 495.7355 495.8555 495.9755 496.0955 496.2155 496.3354 496.4553 496.5752 496.6951 496.8150 496.9348 497.0547 497.1745 497.2943 497.4141 497.5338 497.6536 497.7733 497.8930 498.0127 498.1324 498.2521 498.3717 498.4913 498.6109 498.7305 498.8501 498.9697 499.0892 499.2087 499.3282 499.4477 499.5672 499.6867 499.8061 499.9255 500.0449 500.1643 500.2837 500.4031 500.5224 500.6417 500.7610 500.8803 500.9996 501.1188 501.2381 501.3573 501.4765 501.5957 501.7148 501.8340 501.9531 502.0722 502.1913 502.3104 502.4294 502.5485 502.6675 502.7865 502.9055 503.0245 503.1435 503.2624 503.3813 503.5002 503.6191 503.7380 503.8569 503.9757 504.0945 504.2133 504.3321 504.4509 504.5696 504.6884 504.8071 504.9258 505.0445 505.1632 505.2818 505.4004 505.5191 505.6377 505.7562 505.8748 505.9934 506.1119 506.2304 506.3489 506.4674 506.5858 506.7043 506.8227 506.9411 507.0595 507.1779 507.2963 507.4146 507.5329 507.6512 507.7695 507.8878 508.0061 508.1243 508.2425 508.3607 508.4789 508.5971 508.7152 508.8334 508.9515 509.0696 509.1877 509.3057 509.4238 509.5418 509.6599 509.7779 509.8958 --------------------------------------------------------------------------------------- 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 101-251: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 252-402: 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 20241014T080802.8Z 9053.338922 180 1 17.86 2 72.61 132.14 138.48 351.38 0.00 1 0.00 1 0 15 2.510e-03 2.493e-03 9.467e-04 9.447e-04 2.775914e+03 5.341746e+01 2.053081e+02 -6.000000e+00 1.298702e+02 275.38 -2.00 20.00 -2.00 505.25 0.00e+00 6.465541e-04 2.509105e-05 3.669175e-05 -6.000000e+00 6.803394e-05 275.38 -2.00 20.00 -2.00 500.37 0.00e+00 2.712010e-01 1.835690e-02 2.139902e-02 -6.000000e+00 4.888086e-02 224.29 -2.00 3.88 -2.00 501.97 0.00e+00 3.298 0.001 489.00 513.00 1 6.6519e+00 1.4001e-03 5.0936e-03 -6.0000e+00 3.7281e-03 1.1601e-02 3.6796e-04 5.6859e-04 -6.0000e+00 9.8464e-04 1.5370e-03 6.2556e-04 8.0559e-05 3.1808e-05 -6.0000e+00 2.1998e-04 1.8007e-03 -1.9595e-05 12 1 1 12 1 1 88.54 22.85 1.43 0.00180 0.00614 10 6 1 4 0 1620.284 25.90 20.00 22.85 15.83 35.0 1017.13 -510 -335 -339 -187 87 156 400 289 377 379 80 64 -104 -33 -89 -296 -289 128 91 331 188 160 212 183 153 383 282 134 87 -87 -249 -166 -274 50 -2 151 167 103 -258 -148 -270 -208 -23 91 172 136 69 104 75 -195 -281 -487 -534 -612 -307 -103 88 198 141 354 139 240 268 235 291 145 228 23 -171 -22 -381 -283 -213 -271 -203 -5 -65 -73 -336 -80 -253 -442 -345 -404 -172 46 48 -143 -59 -49 -67 147 74 13 298 392 56 -41 -99 -261 -352 -601 -504 -294 -97 43 30 -102 -168 -436 -270 -206 68 306 195 450 483 394 308 410 282 136 188 145 343 417 129 160 95 102 145 110 -81 -25 -98 -175 39 -67 69 -16 331 204 21 1 192 198 -81 -175 -472 -384 -451 -492 -325 -339 -187 90 159 415 305 398 397 82 65 -108 -34 -90 -299 -295 128 94 349 200 170 225 194 163 409 301 142 91 -88 -252 -166 -278 51 -2 157 174 108 -270 -152 -277 -214 -24 95 177 141 72 107 78 -200 -279 -486 -521 -594 -302 -101 89 205 146 366 143 248 270 237 293 149 230 23 -169 -21 -367 -270 -205 -264 -201 -5 -64 -71 -330 -77 -245 -432 -329 -389 -167 45 48 -142 -58 -49 -66 147 73 13 297 385 56 -40 -94 -250 -331 -566 -483 -283 -95 42 29 -100 -161 -429 -259 -202 67 306 197 455 491 391 307 417 282 134 182 140 333 406 126 157 93 100 141 107 -77 -24 -94 -167 38 -64 68 -16 330 199 21 1 190 197 -80 -175 -459 -365 -427 SQ 20241014T104929.5Z 9053.451036 279 1 51.75 2 61.67 174.05 130.53 44.30 0.00 1 0.00 1 0 15 2.617e-03 2.595e-03 1.020e-03 1.017e-03 2.327164e+03 5.717704e+01 1.714630e+02 -6.000000e+00 1.354080e+02 275.36 -2.00 20.00 -2.00 505.25 0.00e+00 6.647321e-04 2.697669e-05 3.678277e-05 -6.000000e+00 7.093719e-05 275.36 -2.00 20.00 -2.00 500.34 0.00e+00 1.748345e-01 1.978257e-02 1.852438e-02 -6.000000e+00 5.096960e-02 224.28 -2.00 3.88 -2.00 501.95 0.00e+00 2.097 0.000 489.00 513.00 1 7.8211e+00 1.5082e-03 3.4711e-03 -6.0000e+00 3.8874e-03 5.9290e-03 3.9680e-04 4.6055e-04 -6.0000e+00 1.0268e-03 5.7012e-04 6.9781e-04 8.6891e-05 2.6973e-05 -6.0000e+00 2.2936e-04 6.4581e-04 -1.6202e-05 11 1 0 11 8 0 73.83 22.86 1.58 0.00065 0.00549 14 3 1 4 0 3695.793 25.90 20.00 22.86 20.01 35.5 1035.20 -631 -503 -523 -49 158 36 281 234 256 317 224 32 6 -31 -272 -327 -218 69 54 279 398 -85 121 124 175 358 363 312 -29 -44 -379 -39 27 38 -149 257 230 215 -212 -230 -337 -180 -8 138 153 284 93 -93 12 216 -276 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216 83 29 -74 -5 14 -80 -392 -483 -404 SQ 20241014T105944.1Z 9053.458149 282 1 14.40 2 61.55 176.92 129.43 47.10 0.00 1 0.00 1 0 15 2.353e-03 2.339e-03 2.241e-04 2.237e-04 1.923237e+03 1.232845e+01 1.474179e+02 -6.000000e+00 1.217339e+02 275.36 -2.00 20.00 -2.00 505.24 0.00e+00 8.180220e-04 5.925987e-06 4.489066e-05 -6.000000e+00 6.377444e-05 275.36 -2.00 20.00 -2.00 500.38 0.00e+00 9.462171e-02 4.334593e-03 1.518099e-02 -6.000000e+00 4.582573e-02 224.27 -2.00 3.88 -2.00 501.98 0.00e+00 2.089 0.000 489.00 513.00 1 3.8991e+00 3.3050e-04 3.4000e-03 -6.0000e+00 3.4950e-03 9.6649e-03 8.7071e-05 3.8487e-04 -6.0000e+00 9.2322e-04 2.8957e-02 6.5777e-04 1.9109e-05 2.5203e-05 -6.0000e+00 2.0619e-04 2.9386e-03 -3.6752e-05 12 1 1 12 1 1 99.57 22.87 1.50 0.00294 0.00750 173 119 1 4 0 82.680 25.90 20.00 22.87 20.23 35.3 1035.47 -460 -460 -283 -113 218 293 434 444 326 301 100 19 -116 -168 -183 -227 -102 16 112 244 286 223 208 168 240 310 328 228 90 11 -309 -307 -190 -91 32 88 103 -11 -117 -271 -255 -227 -114 11 131 118 203 158 -24 -111 -248 -440 -536 -493 -358 -167 -8 157 171 199 195 162 269 247 253 182 131 -7 -187 -207 -305 -291 -240 -192 -135 -70 -22 -83 -232 -242 -326 -323 -268 -186 -154 -90 -99 -27 3 -99 -17 42 133 184 311 265 127 24 -194 -293 -431 -534 -404 -324 -126 -5 4 -90 -207 -252 -250 -187 -25 129 247 325 368 387 388 335 280 141 210 97 149 194 264 183 253 220 220 164 56 8 -129 -122 -64 5 33 179 222 147 139 124 91 64 -32 -213 -298 -403 -462 -446 -449 -277 -115 222 305 448 466 344 314 103 20 -119 -169 -183 -226 -102 17 115 256 302 236 220 178 255 330 348 240 93 11 -308 -304 -189 -93 33 92 107 -12 -121 -278 -260 -232 -118 12 135 122 210 163 -25 -113 -251 -433 -529 -483 -348 -168 -9 161 176 205 199 166 278 250 262 186 132 -7 -184 -205 -299 -283 -235 -191 -133 -70 -22 -81 -224 -232 -312 -312 -261 -182 -152 -88 -97 -27 3 -97 -17 41 135 185 311 262 126 23 -189 -279 -403 -498 -384 -311 -126 -5 4 -88 -204 -246 -246 -183 -24 129 250 323 367 388 389 333 280 139 204 94 145 190 258 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