File name: Pandora21s1_Bremen_20240604_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T170720.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240604_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: 20240604 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: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20240604T075317.3Z 8921.328672 245 1 46.31 2 49.91 106.72 38.66 145.29 0.00 1 0.00 1 0 17 9.223e-03 5.026e-03 3.651e-03 1.280e-03 2.443342e-01 6.689000e-04 3.219654e-03 -6.000000e+00 5.525826e-03 232.77 -2.00 3.88 -2.00 317.18 0.00e+00 4.475072e-05 8.411206e-05 5.456385e-05 -6.000000e+00 2.207087e-04 278.73 -2.00 20.00 -2.00 316.82 0.00e+00 1.550 0.000 302.00 328.00 3 4.5696e+00 1.7767e-03 2.1136e-02 -6.0000e+00 1.3983e-02 2.5647e-02 1.9826e-03 1.4104e-02 -6.0000e+00 1.5210e-02 -2.5230e-04 1.1794e-03 6.8871e-03 -6.0000e+00 8.9068e-03 -2.8538e-03 5.5860e-04 1.8937e-03 -6.0000e+00 3.5961e-03 8.6822e-04 -5.3539e-04 4.0146e-05 2.3885e-05 -6.0000e+00 2.7789e-04 8.6082e-04 0.0000e+00 12 1 1 12 1 1 99.98 22.30 0.21 0.00086 -0.00316 55 12 1 5 0 826.738 25.39 20.00 22.30 25.15 35.8 1029.21 -4182 -3436 139 11 2340 -2787 340 -2829 1153 -417 289 -1357 -3094 -1321 -1098 327 -666 598 -458 1255 753 791 792 -366 284 -587 660 352 1597 406 1297 1017 -391 -113 -448 -150 -1460 -673 -1205 -968 -1009 -374 -773 -636 -178 -689 -283 -374 326 479 725 719 902 501 767 892 694 904 981 1444 1300 1241 820 58 -127 -92 188 477 509 -160 -3 -349 -135 -394 -85 -82 299 546 -108 -437 -1183 -1346 -1249 -868 -826 -463 -130 -210 -290 -148 285 371 888 836 654 909 566 8 -599 -297 -546 -43 129 -263 -791 -469 -313 -131 133 -1 19 -93 -48 11 396 313 363 315 -241 -334 -264 -89 -103 438 170 720 1073 828 521 450 122 71 442 6 -46 -108 0 -253 -160 -156 -420 -134 -415 -545 -467 18 1 255 -320 41 -392 166 -62 43 -220 -570 -270 -248 77 -165 152 -121 336 204 216 224 -110 88 -186 200 101 438 114 385 323 -131 -37 -143 -50 -548 -292 -605 -536 -590 -224 -472 -389 -108 -417 -167 -217 187 281 447 467 611 351 549 648 508 655 705 1046 985 999 698 51 -107 -73 143 369 424 -146 -2 -339 -130 -362 -73 -64 221 402 -85 -380 -1122 -1361 -1319 -956 -958 -561 -162 -265 -361 -177 319 388 880 835 691 1035 696 10 -799 -385 -673 -50 150 -318 -1011 -621 -428 -185 195 -1 30 -144 -71 16 529 407 476 430 -346 -496 -396 -131 -149 611 229 933 1356 1068 705 636 177 105 665 9 -74 -181 -1 -435 -274 -263 -691 -215 -667 SS 20240604T080643.9Z 8921.338008 254 1 51.20 2 47.99 109.96 37.56 150.00 0.00 1 0.00 1 0 17 7.945e-02 6.417e-03 1.198e-02 3.372e-03 2.471367e-01 1.758433e-03 3.221302e-03 -6.000000e+00 4.760484e-02 232.77 -2.00 3.88 -2.00 317.43 0.00e+00 6.266420e-04 2.349786e-04 5.985982e-05 -6.000000e+00 1.901193e-03 278.73 -2.00 20.00 -2.00 317.08 0.00e+00 1.492 0.000 302.00 328.00 3 6.1643e+00 4.6845e-03 2.0812e-02 -6.0000e+00 1.2047e-01 6.1207e-02 5.2338e-03 1.4191e-02 -6.0000e+00 1.3103e-01 -5.2139e-03 3.1504e-03 6.9360e-03 -6.0000e+00 7.6729e-02 -1.0332e-03 1.5123e-03 1.9152e-03 -6.0000e+00 3.0983e-02 1.8187e-04 -2.7676e-04 1.0620e-04 2.3567e-05 -6.0000e+00 2.3937e-03 1.8868e-04 0.0000e+00 11 8 0 10 0 0 99.89 22.31 0.26 0.00019 -0.00189 18 4 1 5 0 2843.679 25.39 20.00 22.31 25.64 35.9 1030.83 -4331 -1954 2752 -6278 -1374 91237 -1585 -8084 -414 -2581 4601 -3887 -3247 -693 -75 -1726 -756 1568 1287 14 -30 822 -780 685 895 -985 219 1987 67 -359 1600 444 -1034 168 -499 -1761 -1234 -1452 -363 27 -88 653 -1160 -33 -702 -69 -206 -1262 -537 1057 708 1005 644 1568 -59 423 461 549 -315 1479 542 1256 507 211 856 561 -1613 682 895 284 666 -80 422 -11 -506 -1222 -1299 -1034 -1110 -1016 -1056 -1328 -808 -93 -495 -20 211 439 388 422 419 -287 41 -319 -355 609 261 -103 -129 407 -341 -928 -214 -1102 -828 -242 -158 51 708 603 521 -32 4 -350 -182 -634 -404 -257 -403 112 74 611 339 415 193 111 297 625 -24 -10 254 505 75 173 342 1 436 55 12 -368 -704 -365 -384 -518 -241 318 -731 -142 3916 -178 -1070 -55 -354 596 -584 -546 -129 -15 -383 -173 364 310 3 -8 206 -206 187 254 -287 61 515 17 -93 436 131 -323 51 -147 -546 -429 -593 -170 14 -49 368 -677 -19 -408 -39 -116 -700 -294 586 416 622 419 1046 -41 296 324 382 -219 1026 398 979 421 179 697 428 -1199 507 722 251 621 -76 393 -10 -421 -933 -928 -736 -849 -858 -977 -1321 -839 -101 -571 -24 265 555 483 502 463 -295 40 -314 -372 689 322 -136 -173 529 -420 -1084 -246 -1337 -1060 -322 -217 73 1051 937 830 -50 6 -501 -245 -828 -533 -353 -586 169 112 910 493 581 260 143 374 801 -32 -15 373 752 114 274 565 2 760 97 21 -635 -1186 -598 -627 SS 20240604T082254.0Z 8921.349236 260 1 50.03 2 45.74 114.04 36.42 155.91 0.00 1 0.00 1 0 17 2.150e-02 5.018e-03 4.972e-03 1.806e-03 2.308799e-01 9.434413e-04 3.028478e-03 -6.000000e+00 1.288280e-02 232.77 -2.00 3.88 -2.00 317.10 0.00e+00 2.375340e-04 1.161377e-04 5.029128e-05 -6.000000e+00 5.144953e-04 278.73 -2.00 20.00 -2.00 316.75 0.00e+00 1.431 0.000 302.00 328.00 3 5.2736e+00 2.5034e-03 1.9710e-02 -6.0000e+00 3.2600e-02 3.6423e-02 2.7930e-03 1.3279e-02 -6.0000e+00 3.5459e-02 -1.7372e-03 1.6520e-03 6.4839e-03 -6.0000e+00 2.0764e-02 -1.9969e-03 7.7648e-04 1.7844e-03 -6.0000e+00 8.3845e-03 4.9082e-04 -3.5442e-04 5.6767e-05 2.2474e-05 -6.0000e+00 6.4779e-04 1.4805e-04 0.0000e+00 10 0 0 10 0 0 99.97 22.31 0.20 0.00015 -0.00252 40 8 1 5 0 1250.399 25.39 20.00 22.31 25.94 35.7 1031.43 -3340 -2739 -712 -2995 2503 22446 -3697 479 -874 -794 -1560 -395 -3705 -1050 -3170 1177 -384 532 663 981 571 540 185 -868 1769 9 1088 921 1448 517 32 553 -1108 -44 -83 -1249 -1370 -779 -1140 -622 -748 -480 -529 -911 -297 -635 -149 -656 254 658 796 779 822 744 338 666 169 793 674 1546 1236 1149 1166 -174 55 -871 147 403 618 233 199 54 60 -151 -139 -196 -432 50 -296 -348 -932 -1267 -1301 -956 -637 -517 -93 60 -127 -15 322 241 779 764 385 793 546 -4 -340 43 -536 -339 1 -299 -525 -663 -194 -168 154 127 -11 97 -49 -104 120 172 29 113 -227 -305 -71 221 145 198 206 388 942 436 430 162 299 262 143 199 -34 128 186 -230 -257 -207 -367 -109 -449 -468 -400 -100 -397 292 2170 -497 69 -136 -126 -251 -67 -723 -225 -764 289 -99 141 181 273 161 153 54 -271 560 3 339 271 407 148 10 180 -380 -15 -27 -422 -520 -343 -583 -349 -445 -293 -329 -568 -184 -390 -89 -386 147 389 494 509 561 525 244 488 125 577 488 1125 943 933 999 -153 47 -697 112 310 514 211 190 52 58 -139 -119 -154 -318 36 -231 -299 -878 -1277 -1374 -1055 -741 -630 -117 76 -160 -18 361 251 765 756 405 899 671 -5 -454 55 -658 -395 2 -362 -670 -881 -266 -238 226 195 -18 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