File name: Pandora21s1_Bremen_20250103_L2Fit_fwvt1c10d20231020p1-8.txt File generation date: 20250501T022129.3Z Data description: Level 2 spectral fitting results file Data file version: fwvt1c10p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250103_L1_smca1c10d20231020p1-8.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: 20250103 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 20250103T081333.8Z 9134.342752 91 1 4.55 2 86.89 135.88 105.56 96.57 0.00 1 0.00 1 0 15 4.118e-03 4.072e-03 1.591e-03 1.589e-03 5.514818e+03 9.155490e+01 4.072506e+02 -6.000000e+00 2.054320e+02 266.45 -2.00 20.00 -2.00 505.32 0.00e+00 1.163029e-03 4.149640e-05 6.754704e-05 -6.000000e+00 1.092355e-04 266.45 -2.00 20.00 -2.00 500.64 0.00e+00 1.394477e+00 3.060602e-02 4.499225e-02 -6.000000e+00 8.026963e-02 220.83 -2.00 3.88 -2.00 502.21 0.00e+00 13.385 0.054 489.00 513.00 1 4.7299e+00 2.3263e-03 2.0835e-02 -6.0000e+00 6.1063e-03 3.8751e-03 6.0501e-04 1.5582e-03 -6.0000e+00 1.6159e-03 2.3129e-03 5.2150e-04 1.3328e-04 7.0147e-05 -6.0000e+00 3.6065e-04 1.1899e-02 -1.0030e-04 12 9 1 12 1 1 -18.12 22.89 1.20 0.01190 0.01552 3 9 1 4 0 1136.698 25.90 20.00 22.89 6.91 36.1 1011.35 -1152 -534 -736 -379 307 634 490 558 701 253 336 -210 -135 -35 -71 -75 -275 50 194 249 434 161 583 -10 259 544 545 364 -176 -361 -678 -708 -363 -209 154 192 386 135 -436 132 -315 -395 125 -37 419 284 480 332 275 -59 -294 -429 -1002 -852 -637 -274 57 190 324 484 458 480 298 499 453 530 105 56 18 -456 -773 -705 -554 -341 75 240 -328 -250 -380 -631 -907 -583 -525 -274 -534 121 273 -10 -80 -79 26 -33 145 272 524 398 77 247 -257 -266 -813 -747 -680 -402 3 220 -38 -263 -303 -493 -389 89 -133 663 512 272 428 697 774 319 443 329 359 117 -31 132 329 175 315 85 251 154 140 -39 51 -402 -71 194 -93 83 124 76 287 148 370 -86 -206 -71 -605 -518 -642 -1083 -503 -700 -366 304 627 496 561 708 254 332 -211 -133 -34 -69 -72 -269 50 194 256 438 163 589 -10 265 558 559 372 -178 -361 -673 -700 -354 -211 157 197 395 140 -447 133 -318 -402 128 -38 430 294 497 341 279 -60 -292 -421 -968 -818 -622 -271 58 192 330 491 463 487 305 512 464 537 105 56 18 -451 -756 -685 -541 -337 75 236 -329 -245 -367 -617 -889 -561 -511 -267 -528 121 269 -9 -79 -77 26 -33 146 273 523 399 75 241 -245 -252 -763 -700 -651 -392 3 221 -38 -263 -298 -482 -383 89 -133 665 519 277 438 707 790 326 453 331 362 117 -30 132 330 176 316 85 252 154 141 -38 50 -396 -70 195 -94 85 128 78 296 153 386 -90 -216 -73 -619 -518 -642 SQ 20250103T082348.5Z 9134.349867 94 1 50.80 2 85.84 138.00 104.06 98.47 0.00 1 0.00 1 0 15 3.215e-03 3.180e-03 1.340e-03 1.336e-03 5.631179e+03 7.805395e+01 4.139260e+02 -6.000000e+00 1.603768e+02 266.45 -2.00 20.00 -2.00 505.32 0.00e+00 1.104927e-03 3.481507e-05 6.379012e-05 -6.000000e+00 8.527677e-05 266.45 -2.00 20.00 -2.00 500.56 0.00e+00 1.227344e+00 2.592588e-02 4.543939e-02 -6.000000e+00 6.265869e-02 220.83 -2.00 3.88 -2.00 502.13 0.00e+00 11.225 0.032 489.00 513.00 1 6.8599e+00 1.9714e-03 1.7007e-02 -6.0000e+00 4.7667e-03 8.6342e-03 5.1345e-04 1.4248e-03 -6.0000e+00 1.2612e-03 3.7723e-04 6.3939e-04 1.1236e-04 6.7820e-05 -6.0000e+00 2.8150e-04 -8.7161e-03 3.2064e-05 10 0 0 10 0 0 97.92 22.89 1.07 -0.00872 -0.00428 14 3 1 4 0 3627.920 25.90 19.99 22.89 7.84 35.1 1012.19 -745 -290 -771 -220 218 144 585 450 306 129 260 -69 -120 -67 -414 -114 -341 35 -52 342 327 173 -1 36 534 562 443 183 273 66 -260 -144 -127 -351 -74 495 138 31 -274 -86 -542 10 -169 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-40 231 356 -45 446 -256 139 -236 -194 58 -165 43 317 130 -62 125 21 99 128 -118 -420 -502 -635 SQ 20250103T083634.1Z 9134.358728 97 1 6.75 2 84.59 140.67 102.20 100.84 0.00 1 0.00 1 0 15 3.057e-03 3.030e-03 1.285e-04 1.284e-04 3.765228e+03 7.137471e+00 2.878202e+02 -6.000000e+00 1.525219e+02 266.45 -2.00 20.00 -2.00 505.30 0.00e+00 9.588455e-04 3.342658e-06 5.474571e-05 -6.000000e+00 8.109855e-05 266.45 -2.00 20.00 -2.00 500.58 0.00e+00 1.033068e+00 2.468988e-03 3.071351e-02 -6.000000e+00 5.958471e-02 220.83 -2.00 3.88 -2.00 502.16 0.00e+00 9.291 0.018 489.00 513.00 1 8.5721e-01 1.8762e-04 1.3697e-02 -6.0000e+00 4.5330e-03 -2.6538e-03 4.9124e-05 1.0444e-03 -6.0000e+00 1.1992e-03 2.0439e-01 3.7094e-04 1.0871e-05 5.0049e-05 -6.0000e+00 2.6775e-04 -3.3050e-03 9.1399e-06 10 0 0 10 0 0 72.94 22.89 1.19 -0.00331 -0.00073 552 108 1 4 0 11.796 25.90 19.99 22.89 7.81 35.1 1012.53 -649 -548 -373 -85 284 390 496 514 437 393 144 27 -85 -190 -262 -243 -126 -23 106 304 327 258 274 238 308 367 414 294 99 -36 -391 -417 -310 -168 66 179 190 -23 -149 -238 -256 -202 -56 60 165 224 218 209 40 -138 -297 -571 -680 -628 -497 -234 6 187 207 265 273 282 340 322 328 231 135 4 -211 -252 -382 -465 -320 -240 -105 -58 -68 -179 -342 -373 -404 -422 -358 -292 -236 -135 -127 -86 -106 -145 -70 23 145 266 405 338 196 51 -234 -363 -598 -694 -552 -433 -176 -24 -7 -126 -242 -306 -267 -158 57 237 364 472 538 542 538 454 325 197 168 126 212 263 313 295 291 258 275 197 91 -90 -189 -232 -150 -11 105 196 219 211 132 148 151 105 -25 -230 -397 -546 -590 -615 -524 -354 -83 278 390 507 516 441 394 147 27 -85 -186 -255 -236 -124 -23 106 310 335 265 281 245 319 382 429 304 101 -37 -387 -410 -308 -167 68 183 200 -24 -153 -243 -260 -206 -57 63 168 231 224 213 42 -141 -295 -568 -663 -609 -490 -231 6 193 208 266 281 283 344 327 332 232 138 4 -210 -248 -371 -449 -311 -236 -105 -58 -67 -175 -328 -355 -384 -404 -347 -285 -232 -134 -127 -87 -106 -145 -68 23 145 270 410 336 191 50 -225 -341 -571 -662 -520 -424 -175 -24 -7 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