File name: Pandora21s1_Bremen_20220820_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T121147.3Z 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_20220820_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: 20220820 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 20220820T064035.5Z 8267.278189 264 1 49.61 2 69.26 96.95 30.80 198.85 0.00 1 0.00 1 0 25 4.721e-02 5.535e-03 4.253e-02 4.270e-03 3.602971e-01 2.272587e-03 4.713935e-03 -6.000000e+00 2.861289e-02 232.00 -2.00 3.88 -2.00 319.37 0.00e+00 -6.976010e-04 5.089558e-04 1.635699e-04 -6.000000e+00 1.130754e-03 282.31 -2.00 20.00 -2.00 319.04 0.00e+00 2.796 0.000 302.00 328.00 3 4.3035e+00 6.2668e-03 3.5054e-02 -6.0000e+00 7.2312e-02 3.0941e-03 7.1125e-03 2.1141e-02 -6.0000e+00 7.8286e-02 5.1679e-02 5.5079e-03 1.0613e-02 -6.0000e+00 4.5871e-02 -2.9573e-02 2.9258e-03 3.1178e-03 -6.0000e+00 1.8914e-02 2.8426e-04 -8.8145e-04 1.3918e-04 3.8742e-05 -6.0000e+00 1.4182e-03 -1.8363e-02 5.3724e-06 10 0 0 10 0 0 99.99 22.52 0.11 -0.01836 -0.02499 240 47 1 5 0 206.681 25.58 20.00 22.52 27.32 30.0 1002.84 9549 19711 9919 459 22828 31618 7267 -5433 -1927 -2691 6969 7334 10865 -2938 13531 -367 -9449 4218 -4954 1764 -70 4747 3168 8476 2522 4460 1770 3689 2803 603 3555 843 1840 -4448 3692 -657 -1080 -1041 -337 -1179 -2954 -1058 -3370 -790 -787 -1872 -2647 1331 -566 -921 -284 -1003 595 -1272 1357 -397 2078 -1222 251 132 -382 1306 -609 886 -758 318 292 2015 117 1600 -374 -90 -116 4 947 912 833 424 677 -485 -483 -792 -1079 -1798 -331 -758 -344 -118 -320 884 -77 281 1362 1120 1828 950 1208 610 -190 -102 -185 -326 195 -221 -705 -382 -63 -405 95 -233 219 -159 -72 162 200 -229 526 48 117 -629 -666 -36 -625 -293 -124 155 236 1020 592 111 73 -141 231 273 243 -236 -1 136 -175 -350 -66 26 250 272 571 323 16 627 793 230 -210 -80 -120 296 326 518 -179 819 -28 -826 347 -463 162 -7 446 310 841 281 514 211 422 311 68 412 110 258 -693 528 -97 -170 -188 -72 -294 -837 -314 -1063 -248 -249 -602 -856 411 -178 -298 -96 -368 231 -534 582 -179 941 -575 115 60 -179 639 -329 508 -455 183 160 1062 66 986 -258 -66 -86 3 638 563 471 230 377 -301 -338 -619 -917 -1632 -315 -771 -369 -131 -360 960 -80 270 1205 960 1613 923 1302 732 -247 -134 -236 -388 216 -244 -827 -475 -82 -554 136 -358 356 -268 -121 261 302 -327 729 68 175 -1003 -1095 -59 -1003 -455 -185 220 322 1364 831 169 118 -238 401 491 459 -473 -2 286 -373 -742 -136 50 479 SS 20220820T072155.3Z 8267.306890 292 1 49.41 2 63.19 105.77 33.51 215.56 0.00 1 0.00 1 0 25 1.008e-02 4.978e-03 2.631e-03 6.357e-04 2.833498e-01 3.351999e-04 3.771476e-03 -6.000000e+00 6.112835e-03 232.00 -2.00 3.88 -2.00 317.87 0.00e+00 2.065377e-04 5.001515e-05 7.867507e-05 -6.000000e+00 2.415540e-04 282.31 -2.00 20.00 -2.00 317.55 0.00e+00 2.204 0.000 302.00 328.00 3 2.6571e+00 8.9618e-04 2.7560e-02 -6.0000e+00 1.5448e-02 3.5453e-03 9.9776e-04 1.6498e-02 -6.0000e+00 1.6724e-02 -8.4646e-04 6.3153e-04 8.1202e-03 -6.0000e+00 9.7993e-03 -2.7536e-03 3.1823e-04 2.3038e-03 -6.0000e+00 4.0413e-03 2.9622e-03 -3.8026e-04 2.0092e-05 2.8718e-05 -6.0000e+00 3.0290e-04 -1.8715e-02 4.7741e-05 10 0 0 10 0 0 99.85 22.52 0.23 -0.01871 -0.02157 261 51 1 5 0 189.250 25.58 20.00 22.52 27.63 30.1 1004.41 -2536 -4618 -3217 -4028 -3439 -1905 -1869 -1199 -2053 -354 -1891 806 -2499 -760 -1481 -555 -877 -554 406 599 660 51 515 -43 207 -269 -546 -513 512 1415 727 1482 684 -281 -895 -33 -885 -21 -444 -1065 -853 -911 -685 -890 -261 -620 -431 -722 -217 395 531 852 677 878 556 797 608 516 698 926 1324 1204 1273 468 345 266 354 355 825 441 -171 -79 -350 -173 -232 25 112 409 517 -97 -498 -981 -1494 -1178 -972 -949 -461 -366 -114 -218 215 375 691 1015 874 767 666 404 -316 -399 -385 -565 161 110 -542 -637 -458 -493 -35 -28 7 -140 -131 -52 118 448 505 538 228 -206 -589 -170 -255 -11 305 308 874 1084 821 527 362 74 197 285 -45 -87 8 65 -377 -230 -341 -368 -239 -195 -401 -284 -344 -268 -139 -142 -100 -193 -35 -191 82 -290 -100 -224 -92 -155 -102 78 118 134 11 107 -9 48 -65 -133 -120 112 300 162 356 179 -77 -240 -9 -247 -7 -157 -441 -392 -445 -345 -457 -134 -318 -218 -359 -106 193 270 461 391 535 353 519 405 345 460 604 879 850 903 357 268 198 264 256 616 341 -146 -71 -322 -155 -195 19 84 287 369 -77 -413 -906 -1501 -1250 -1022 -1067 -547 -451 -141 -265 245 393 709 991 878 839 756 509 -432 -518 -512 -697 185 126 -665 -835 -630 -667 -50 -43 12 -230 -212 -80 167 632 693 756 319 -309 -920 -265 -390 -16 428 439 1183 1437 1135 734 537 115 312 466 -73 -149 13 118 -699 -423 -607 -633 -399 SS 20220820T072736.6Z 8267.310841 295 1 50.27 2 62.37 107.03 34.00 217.68 0.00 1 0.00 1 0 17 1.296e-02 5.071e-03 8.445e-03 1.912e-03 2.797838e-01 1.008488e-03 3.717077e-03 -6.000000e+00 7.854903e-03 232.00 -2.00 3.88 -2.00 318.03 0.00e+00 1.942480e-04 1.569370e-04 8.183827e-05 -6.000000e+00 3.103772e-04 282.31 -2.00 20.00 -2.00 317.71 0.00e+00 2.145 0.000 302.00 328.00 3 4.6122e+00 2.7036e-03 2.6972e-02 -6.0000e+00 1.9851e-02 2.3150e-02 3.0131e-03 1.6297e-02 -6.0000e+00 2.1489e-02 1.1514e-03 1.9356e-03 8.0337e-03 -6.0000e+00 1.2592e-02 -4.3486e-03 9.8216e-04 2.2838e-03 -6.0000e+00 5.1934e-03 4.4139e-04 -3.7118e-04 6.0639e-05 2.8158e-05 -6.0000e+00 3.8916e-04 -1.8963e-02 6.6184e-05 11 1 0 11 8 0 99.13 22.52 0.21 -0.01896 -0.02175 43 8 1 5 0 1166.852 25.58 20.00 22.52 27.79 30.1 1005.54 -3252 100 -2067 559 -6644 940 -4286 3235 -5636 -4480 -805 -380 935 -211 1351 -2842 1060 279 2715 -923 -507 1108 -1203 1006 -826 949 -2098 114 -1596 586 157 1776 253 -1829 -204 -2256 276 -1541 -266 -1361 -451 -1321 -418 -434 -838 282 -789 -140 -667 788 285 782 764 605 1024 989 1101 471 1094 503 1693 1216 1118 930 57 501 -179 701 225 452 15 -323 -21 60 -383 -366 640 -550 222 -739 -480 -1078 -1311 -1137 -721 -748 -729 -177 -34 -63 137 665 419 1228 510 636 951 553 -34 -653 81 -884 -155 36 -812 -580 -451 -239 -28 253 -90 -120 -293 40 142 532 225 368 210 -333 -266 -337 53 -164 306 379 667 1110 406 699 111 340 -85 428 -52 80 44 -120 -297 -250 -116 -402 -242 -236 8 -169 43 -504 63 -316 246 -516 -431 -76 -37 99 -26 185 -447 171 47 470 -171 -96 209 -236 202 -179 210 -481 25 -333 117 33 396 62 -471 -50 -559 71 -460 -93 -553 -201 -626 -203 -214 -416 139 -388 -67 -319 374 141 409 424 353 617 611 692 299 684 314 1067 812 801 706 45 374 -126 477 159 349 13 -287 -19 52 -321 -284 452 -372 151 -553 -397 -978 -1275 -1159 -771 -847 -867 -216 -42 -77 158 711 419 1172 501 669 1088 689 -45 -882 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