File name: Pandora21s1_Bremen_20230303_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T134030.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 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_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20230303_L1_smca1c1d20201116p1-8.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: 20230303 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]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20230303T081941.8Z 8462.347011 306 1 48.74 2 72.93 128.10 101.92 355.38 0.00 1 0.00 1 0 25 1.251e-01 4.752e-03 7.140e-02 1.883e-03 5.424181e-01 1.003907e-03 6.941999e-03 -6.000000e+00 7.386933e-02 224.37 -2.00 3.88 -2.00 320.40 0.00e+00 7.673400e-04 3.191113e-04 4.204758e-04 -6.000000e+00 3.000164e-03 267.27 -2.00 20.00 -2.00 320.11 0.00e+00 3.358 0.001 302.00 328.00 3 2.4602e+00 2.8591e-03 4.5550e-02 -6.0000e+00 1.8339e-01 2.1570e-02 3.5345e-03 3.1200e-02 -6.0000e+00 1.9950e-01 3.0995e-02 3.6491e-03 1.6864e-02 -6.0000e+00 1.1758e-01 -2.3654e-02 1.9157e-03 5.4415e-03 -6.0000e+00 4.9345e-02 8.2803e-04 -7.2709e-04 5.9081e-05 6.9838e-05 -6.0000e+00 3.7503e-03 -3.0184e-02 6.2255e-05 10 0 0 10 0 0 99.97 22.10 0.14 -0.03018 -0.03565 470 92 1 5 0 103.464 25.17 20.00 22.10 11.89 31.2 1035.86 -7781 -2239 -35294 19496 -53491 -19373 109912 -36595 13730 -32902 -17704 -10223 10654 -14947 8538 -9390 17010 4271 -3116 13549 -6333 4189 -35 -522 -2246 2113 -7273 -660 928 -1318 197 525 6581 216 1031 -513 -473 -85 -2558 -381 -2452 -1216 -3531 1004 -1205 -205 -1264 454 -318 1059 1885 -1628 1123 -770 1128 -229 997 -200 388 268 496 2620 1179 841 -447 612 513 637 1039 451 79 -843 128 -225 93 -372 1525 1052 868 93 -814 -735 -1727 -1058 -1330 -781 -402 -62 -112 39 712 813 1148 1185 1251 492 1051 410 -152 -246 -122 -270 91 481 -777 -563 -551 -203 -197 28 -196 -178 -13 -132 390 549 800 419 14 -526 -733 -328 -342 -201 -242 163 384 1305 590 401 -41 -150 193 146 43 -317 91 -21 -325 -97 73 -98 174 -60 -19 -405 148 -700 -187 387 -475 131 -517 -256 -151 153 -325 181 -267 422 126 -107 418 -248 151 -1 -21 -100 96 -374 -31 43 -64 10 31 417 16 75 -38 -37 -7 -275 -48 -346 -185 -580 163 -202 -35 -219 79 -57 197 377 -373 274 -208 318 -68 304 -62 118 80 151 834 423 321 -184 248 211 262 453 213 42 -477 73 -124 47 -180 665 446 389 48 -468 -481 -1260 -822 -1101 -685 -371 -59 -108 37 628 666 881 894 1001 445 1077 479 -188 -314 -150 -318 98 500 -853 -655 -676 -252 -262 41 -312 -301 -22 -220 612 813 1152 617 21 -863 -1232 -541 -545 -309 -357 239 539 1804 875 633 -71 -279 374 297 90 -697 207 -48 -760 -222 160 -204 360 SS 20230303T082952.7Z 8462.354082 309 1 48.51 2 71.75 130.44 102.02 357.63 0.00 1 0.00 1 0 25 6.653e-02 4.853e-03 5.683e-02 2.258e-03 5.135243e-01 1.199127e-03 6.592035e-03 -6.000000e+00 3.929051e-02 224.37 -2.00 3.88 -2.00 320.28 0.00e+00 4.051534e-04 3.656300e-04 3.701780e-04 -6.000000e+00 1.595641e-03 267.27 -2.00 20.00 -2.00 319.98 0.00e+00 3.152 0.001 302.00 328.00 3 2.6890e+00 3.3905e-03 4.2872e-02 -6.0000e+00 9.7541e-02 2.6906e-03 4.1160e-03 2.9358e-02 -6.0000e+00 1.0611e-01 6.5592e-02 4.0884e-03 1.5714e-02 -6.0000e+00 6.2536e-02 -3.8538e-02 2.1617e-03 5.0241e-03 -6.0000e+00 2.6248e-02 8.2662e-04 -5.0813e-04 7.1481e-05 6.3848e-05 -6.0000e+00 1.9944e-03 -3.0591e-02 8.6818e-05 10 0 0 10 0 0 99.98 22.10 0.10 -0.03059 -0.03441 717 141 1 5 0 66.616 25.17 20.00 22.10 12.81 31.2 1041.28 -27151 14352 -8177 5005 -36025 -3556 -3599 -25196 32624 -11899 16114 -24068 10599 -13063 2981 1063 -1853 7009 -4744 8242 1097 7027 849 7608 1912 3165 -891 5746 7416 4630 14434 2955 2700 668 -622 518 -1257 652 -357 -1912 -3112 -1413 -2661 -1142 -2882 -1371 -2433 973 168 832 1073 631 1422 -1363 599 -914 -1 -395 695 75 1309 1654 144 862 -767 -297 840 649 532 213 -290 -665 -119 -314 348 174 445 1163 2099 372 54 -300 -1095 -923 -853 -927 -708 -176 105 132 678 901 1580 1010 1794 560 1105 584 -348 -448 -208 -205 -73 577 -826 -876 -839 -377 11 -168 39 -194 -101 -37 337 521 749 140 -69 -588 -661 -265 -204 -129 -187 228 504 1302 581 133 -63 87 6 61 102 -143 182 97 -360 -151 -83 -44 137 -319 140 -102 57 -530 -40 -43 -392 357 -198 230 -503 196 -339 79 33 -65 248 -195 324 47 290 38 343 97 170 -50 305 378 249 779 198 203 55 -51 43 -110 64 -42 -270 -498 -242 -487 -212 -543 -263 -477 187 33 172 234 152 373 -390 179 -289 0 -130 222 24 416 560 55 353 -338 -130 356 275 239 106 -161 -395 -71 -182 187 86 202 505 948 193 32 -202 -820 -725 -712 -826 -665 -171 102 126 606 760 1241 782 1455 513 1125 675 -437 -580 -264 -239 -78 605 -901 -1016 -1025 -485 15 -246 62 -328 -174 -62 527 779 1088 209 -107 -959 -1103 -434 -323 -200 -279 325 686 1775 833 212 -108 158 12 121 211 -312 410 223 -840 -345 -181 -94 278 SS 20230303T083917.4Z 8462.360618 312 1 2.94 2 70.69 132.64 102.07 359.72 0.00 1 0.00 1 0 17 1.366e-01 1.051e-02 1.327e-01 9.554e-03 4.887429e-01 4.952500e-03 6.362184e-03 -6.000000e+00 8.068763e-02 224.37 -2.00 3.88 -2.00 318.91 0.00e+00 1.429635e-03 1.060061e-03 2.288433e-04 -6.000000e+00 3.276720e-03 267.27 -2.00 20.00 -2.00 318.63 0.00e+00 2.990 0.001 302.00 328.00 3 3.8516e+00 1.3338e-02 4.0464e-02 -6.0000e+00 2.0031e-01 8.5634e-02 1.5191e-02 2.7339e-02 -6.0000e+00 2.1790e-01 -4.6024e-02 1.2030e-02 1.4039e-02 -6.0000e+00 1.2842e-01 1.4316e-02 6.5334e-03 4.2387e-03 -6.0000e+00 5.3906e-02 3.0530e-04 -2.2538e-04 2.8383e-04 4.9827e-05 -6.0000e+00 4.0955e-03 -3.1211e-02 7.8550e-05 12 9 9 12 1 1 999.00 22.10 0.31 -0.03121 -0.03290 1 7 1 5 0 1380.097 25.17 20.00 22.10 13.59 31.3 1045.12 -56148 -10092 14799 -24785 -7533 -42980 87190 -59322 35994 3926 29256 48440 -29940 14542 26725 23227 -10000 1948 2227 8747 2468 4921 16550 5836 4283 4895 7431 -9582 -6024 -15188 -2396 2213 -6914 -1156 -2450 4094 -8305 4004 2200 1716 -722 -1942 -2305 -3569 1567 3302 902 -1642 1722 -5637 2592 -507 5082 -94 4990 4208 938 -2246 -2549 3163 701 2523 1178 -1163 -1049 -150 2393 937 -31 -616 -804 -836 522 -340 -731 176 -252 143 -2052 -873 378 -741 -3000 -1497 -416 46 141 -542 580 -192 1676 -411 1980 -1031 1489 1055 1044 1004 -390 -59 -739 43 -144 -156 -479 -646 -28 -911 924 1099 -905 -899 -439 -423 801 944 747 -317 -228 762 55 179 -758 -800 -140 927 -264 1694 358 -493 34 -728 238 151 -293 901 239 -134 -872 -630 629 -70 81 -1921 -261 326 -774 -190 -1440 938 -2663 759 119 740 1109 -1610 628 1232 1276 -823 155 188 731 225 444 1377 567 451 540 815 -1203 -715 -1992 -305 306 -1158 -196 -418 650 -1553 764 502 457 -218 -634 -786 -1259 535 1122 315 -590 613 -2198 1000 -216 2216 -45 2409 2108 492 -1214 -1364 1601 366 1369 696 -750 -703 -99 1507 593 -21 -446 -627 -681 424 -272 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