File name: Pandora21s1_Bremen_20220317_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T111549.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220317_L1_smca1c6d20211128p1-8.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: 20220317 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20220317T125144.1Z 8111.535927 447 1 50.56 2 56.74 203.72 114.52 28.85 0.00 1 0.00 1 0 17 2.221e-02 5.869e-03 2.917e-02 4.402e-03 3.396790e-01 2.274554e-03 4.519494e-03 -6.000000e+00 1.312699e-02 225.18 -2.00 3.88 -2.00 318.66 0.00e+00 3.191610e-04 4.336288e-04 1.261756e-04 -6.000000e+00 5.320216e-04 268.53 -2.00 20.00 -2.00 318.36 0.00e+00 1.818 0.000 302.00 328.00 3 5.6898e+00 6.0858e-03 2.6510e-02 -6.0000e+00 3.2647e-02 4.7208e-02 6.8724e-03 1.9119e-02 -6.0000e+00 3.5521e-02 9.7999e-03 4.8682e-03 9.7289e-03 -6.0000e+00 2.0921e-02 -1.0567e-02 2.5808e-03 2.8947e-03 -6.0000e+00 8.7498e-03 1.8209e-04 -4.3039e-04 1.3910e-04 3.6008e-05 -6.0000e+00 6.6620e-04 3.7227e-03 0.0000e+00 10 0 0 10 0 0 99.98 22.23 0.13 0.00372 0.00049 54 11 1 5 0 936.089 25.28 19.99 22.23 15.35 28.8 1023.58 -3902 -6966 1204 6851 2276 -254 -1165 14714 293 3428 4281 5286 -675 3162 -2136 -1685 678 737 -6347 -148 2521 -4866 1021 951 7385 1230 830 -1904 11 4246 172 2358 1863 -490 -803 2030 -2293 -3435 1251 -1201 -2330 -2877 -592 -1800 -1150 -679 -906 -354 11 -947 133 829 -1174 398 1203 602 325 415 -1166 1297 2996 3003 1308 1417 923 341 -591 -52 -233 1035 -704 359 200 -19 618 254 246 -1203 60 -846 -673 -278 -1255 -1993 -1131 -781 138 142 373 359 523 643 101 835 304 693 487 688 -171 -4 -104 -683 15 -338 -1053 -844 -652 -19 58 300 141 -48 33 160 -257 682 25 179 587 -631 -218 -351 61 -695 500 85 29 849 828 -145 -147 401 151 218 205 131 43 155 -471 -263 45 -301 -23 -184 -371 62 324 105 -12 -56 676 17 203 258 331 -50 259 -211 -185 78 89 -859 -20 334 -696 142 139 1079 199 135 -308 2 616 27 404 349 -98 -157 381 -477 -830 343 -392 -853 -1124 -234 -734 -467 -275 -366 -141 4 -383 56 371 -572 202 631 327 180 231 -648 698 1619 1723 825 956 640 229 -379 -32 -152 737 -556 296 167 -16 469 178 157 -740 37 -588 -524 -238 -1170 -1975 -1175 -859 158 169 445 418 576 655 97 762 288 712 554 860 -231 -5 -136 -837 18 -386 -1274 -1079 -869 -26 85 461 230 -81 54 256 -385 956 34 251 861 -986 -349 -561 94 -1057 722 118 39 1108 1127 -212 -229 646 250 372 365 244 84 305 -938 -518 86 -555 -41 SS 20220317T132938.1Z 8111.562246 472 1 49.93 2 59.50 214.40 111.63 38.13 0.00 1 0.00 1 0 25 1.384e-02 4.866e-03 7.994e-03 1.101e-03 3.609783e-01 5.684835e-04 4.803308e-03 -6.000000e+00 8.176805e-03 225.18 -2.00 3.88 -2.00 318.70 0.00e+00 3.464086e-04 1.109199e-04 1.394600e-04 -6.000000e+00 3.313976e-04 268.53 -2.00 20.00 -2.00 318.40 0.00e+00 1.962 0.000 302.00 328.00 3 3.4232e+00 1.5231e-03 2.8390e-02 -6.0000e+00 2.0336e-02 2.4386e-02 1.7223e-03 2.0356e-02 -6.0000e+00 2.2126e-02 2.1320e-03 1.2450e-03 1.0373e-02 -6.0000e+00 1.3032e-02 -6.7740e-03 6.6378e-04 3.0877e-03 -6.0000e+00 5.4502e-03 1.5040e-03 -4.4839e-04 3.4469e-05 3.8077e-05 -6.0000e+00 4.1498e-04 3.8130e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.25 0.20 0.00381 0.00044 240 47 1 5 0 207.969 25.28 20.00 22.25 16.70 28.8 1030.46 -1450 -5283 -1519 -7034 2184 -3110 -353 -4665 -4758 -1934 -3592 -930 -4408 649 -1304 1321 -2207 -1215 -165 -2129 -312 -2087 1629 -753 1532 -1058 -253 -1036 700 -727 153 2108 -38 382 -2286 159 -1289 42 -546 -843 -1079 -1125 -896 -1194 -466 -1167 -140 -1036 108 -96 681 840 711 982 640 1452 441 748 456 1032 1450 1288 1463 366 306 355 462 360 1319 378 4 -308 -490 -254 -280 281 -50 765 231 300 -335 -926 -1487 -1368 -718 -993 -443 -436 12 -82 412 480 812 1157 871 752 640 463 -315 -354 -309 -390 87 138 -636 -851 -509 -534 31 48 7 -107 -74 27 94 524 411 472 118 -367 -528 -107 -274 -147 310 185 846 1002 795 231 240 218 197 307 -186 -129 -51 60 -328 -211 -259 -182 -45 -57 -238 -69 -325 87 -125 -15 -222 -250 -106 -205 -55 -301 49 -116 129 -240 -139 -20 -268 -40 -271 210 -105 222 -164 -39 -157 100 -105 23 348 -7 73 -440 29 -259 10 -148 -267 -380 -421 -347 -472 -184 -465 -55 -407 42 -38 283 374 339 493 336 778 243 413 249 556 793 747 916 248 212 239 295 226 858 273 3 -256 -410 -207 -215 198 -33 472 148 211 -264 -809 -1401 -1355 -744 -1091 -508 -515 15 -95 453 492 779 1074 839 786 735 582 -423 -482 -407 -481 101 160 -772 -1090 -678 -740 44 73 12 -177 -121 43 141 743 572 670 175 -572 -845 -170 -426 -222 452 260 1142 1336 1105 343 377 355 329 525 -332 -241 -97 118 -644 -411 -491 -333 -80 SS 20220317T134332.6Z 8111.571905 478 1 49.56 2 60.73 218.15 110.40 41.42 0.00 1 0.00 1 0 25 1.761e-02 4.706e-03 1.301e-02 1.456e-03 3.734908e-01 7.541988e-04 4.939870e-03 -6.000000e+00 1.040592e-02 225.18 -2.00 3.88 -2.00 319.12 0.00e+00 8.386682e-05 1.638731e-04 1.628542e-04 -6.000000e+00 4.217227e-04 268.53 -2.00 20.00 -2.00 318.82 0.00e+00 2.036 0.000 302.00 328.00 3 3.2372e+00 2.0405e-03 2.9427e-02 -6.0000e+00 2.5880e-02 6.5281e-03 2.3247e-03 2.1095e-02 -6.0000e+00 2.8158e-02 2.6135e-02 1.7821e-03 1.0820e-02 -6.0000e+00 1.6584e-02 -1.7985e-02 9.5534e-04 3.2585e-03 -6.0000e+00 6.9363e-03 1.6605e-03 -3.9955e-04 4.6218e-05 4.0675e-05 -6.0000e+00 5.2808e-04 3.4926e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.25 0.17 0.00349 0.00049 760 149 1 5 0 64.773 25.28 20.00 22.25 17.34 28.5 1033.21 7625 -1404 53 3003 5774 -2239 -3154 9987 1080 6505 -3650 5639 -452 2011 2558 -1284 753 -1472 1616 -2817 1318 780 3494 1555 1420 1026 -718 310 -419 2132 1097 2973 898 168 -1067 -575 -601 -1802 -56 -1848 -1288 -2026 -1274 -1639 -1171 -1489 -1208 -439 -1184 113 -260 970 674 373 8 272 478 -71 453 293 1614 1242 1231 397 -41 -30 319 271 719 714 -94 62 -111 21 248 451 500 631 858 -11 -160 -964 -1110 -1004 -834 -685 -305 -237 -64 337 357 724 984 1482 920 1002 912 364 -220 -449 -317 -570 238 145 -597 -833 -567 -537 -70 192 -237 7 -143 73 25 558 358 258 56 -596 -664 -261 -281 -153 209 202 699 1016 581 242 126 124 90 410 -98 -85 192 135 -436 -146 -62 -244 -2 233 -51 2 106 189 -76 -114 355 46 280 -175 266 -25 126 184 -106 66 -139 156 -293 137 82 368 176 172 131 -94 39 -51 253 141 412 138 27 -172 -92 -102 -354 -13 -506 -388 -657 -426 -560 -401 -512 -417 -149 -407 39 -96 377 283 167 4 131 236 -35 221 141 784 646 699 242 -26 -19 185 154 429 475 -69 48 -86 16 176 290 296 356 499 -7 -118 -789 -989 -948 -826 -722 -335 -269 -73 378 377 709 900 1304 848 1005 1013 452 -294 -611 -412 -692 270 163 -713 -1050 -749 -737 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