File name: Pandora21s1_Bremen_20241025_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20241025T231219.2Z 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 v1.8.60 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20241025_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: 20241025 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 20241025T074726.8Z 9064.324616 303 1 50.21 2 78.22 129.79 37.23 216.49 0.00 1 0.00 1 0 25 2.729e-01 5.248e-03 1.202e-01 1.656e-03 5.971333e-01 8.763313e-04 7.276606e-03 -6.000000e+00 1.577218e-01 223.00 -2.00 3.88 -2.00 321.02 0.00e+00 1.602745e-03 3.260314e-04 5.623866e-04 -6.000000e+00 6.531025e-03 273.77 -2.00 20.00 -2.00 320.67 0.00e+00 4.746 0.002 302.00 328.00 3 1.0176e+00 2.5442e-03 5.7619e-02 -6.0000e+00 3.9012e-01 3.6036e-02 3.3713e-03 3.3936e-02 -6.0000e+00 4.2743e-01 -1.3478e-02 3.8145e-03 1.8354e-02 -6.0000e+00 2.5218e-01 -6.1098e-03 1.9344e-03 5.9027e-03 -6.0000e+00 1.0387e-01 9.4840e-04 -1.1474e-03 5.1742e-05 7.8459e-05 -6.0000e+00 8.2021e-03 1.8562e-03 0.0000e+00 10 0 0 10 0 0 99.95 22.93 0.19 0.00186 -0.00677 493 97 1 5 0 101.741 26.00 20.00 22.93 18.14 35.8 1021.19 -102679 35082 -81088 -58097 -65379 -106537 29775 -110600 175969 -85386 51890 -63211 29003 -30243 -26857 -8351 -8650 5661 -13036 25524 -21270 18927 -14249 2407 -11864 -10604 -7779 -13410 -1573 -12027 12686 -7482 10220 -6853 12519 -5270 -2819 1781 525 1260 -3859 5548 -3718 2707 -1920 -470 -326 -837 3278 -717 4542 85 3757 -179 2802 321 166 401 313 2995 829 2595 -84 1818 -766 2007 780 870 497 -484 715 -1017 1107 -1252 1052 -464 -33 -365 25 -205 -1214 -911 -1484 -426 -1225 -2 -740 444 112 357 912 374 1545 317 1234 307 852 -447 -96 -116 -400 257 99 -221 -1100 -323 -987 33 -101 -2 -182 -243 39 141 831 339 467 -250 -254 -644 -249 -32 -262 290 -31 774 839 592 128 218 -9 195 74 -46 -112 -187 274 -363 -84 -228 47 216 -99 -959 109 -711 -418 -487 -1155 108 -1607 284 -1162 230 -911 227 -469 -491 -147 -171 107 -317 442 -564 371 -393 61 -376 -345 -245 -441 -48 -455 444 -352 445 -360 570 -285 -172 126 43 119 -421 586 -448 312 -237 -58 -42 -111 443 -104 698 15 702 -37 596 73 38 91 69 657 199 684 -25 583 -255 636 252 300 194 -214 333 -490 506 -546 408 -167 -11 -136 10 -102 -699 -554 -978 -296 -915 -2 -606 363 90 273 646 265 1071 225 982 284 893 -526 -118 -137 -440 256 95 -221 -1178 -362 -1183 42 -136 -4 -290 -399 63 216 1199 480 673 -382 -407 -1059 -401 -49 -395 440 -45 1082 1166 881 203 384 -17 390 155 -99 -254 -441 659 -887 -202 -525 102 467 -215 SS 20241025T081128.5Z 9064.341302 313 1 50.14 2 75.56 135.17 39.59 224.51 0.00 1 0.00 1 0 25 1.264e-01 5.985e-03 1.132e-01 3.743e-03 4.987493e-01 1.951571e-03 6.224967e-03 -6.000000e+00 7.307522e-02 223.00 -2.00 3.88 -2.00 320.59 0.00e+00 5.014586e-04 6.447303e-04 3.776183e-04 -6.000000e+00 3.025443e-03 273.77 -2.00 20.00 -2.00 320.23 0.00e+00 3.928 0.001 302.00 328.00 3 2.8005e+00 5.5648e-03 4.7758e-02 -6.0000e+00 1.8075e-01 -3.1357e-02 6.8498e-03 2.8043e-02 -6.0000e+00 1.9803e-01 6.4727e-02 6.9366e-03 1.4765e-02 -6.0000e+00 1.1683e-01 -3.3400e-02 3.6244e-03 4.6104e-03 -6.0000e+00 4.8129e-02 3.8626e-04 -9.0271e-04 1.2070e-04 6.0927e-05 -6.0000e+00 3.7995e-03 6.9363e-04 0.0000e+00 10 0 0 10 0 0 99.99 22.94 0.11 0.00069 -0.00609 455 89 1 5 0 110.177 26.00 19.99 22.94 20.67 36.1 1033.53 49101 3694 858 11887 24798 54992 -69299 47004 -49843 50576 -14218 -25871 -12081 7583 19216 -1848 16109 -4395 8595 3731 25376 -2732 -108 -2639 3903 13714 -5346 18466 1825 12468 1830 6157 921 2597 3493 2270 1909 -2310 1486 -6143 2170 -6424 -1040 -749 -481 -912 -1575 197 -636 3459 -363 4339 -2703 26 -1069 -911 -19 -168 2720 -170 1779 556 26 -1623 14 379 1422 2300 -134 372 -1172 -62 -1083 -667 460 1697 1093 1627 1137 -264 -439 -1654 -617 -1944 -136 -740 -205 -473 -36 932 958 2144 1959 1817 99 1544 519 18 -572 -678 -27 -86 1247 -610 -934 -1184 -488 -436 346 25 -75 40 -376 623 397 819 92 -56 -480 -554 -185 -445 -9 56 242 52 967 299 285 213 -262 101 -11 246 -386 222 75 -239 -124 -176 65 -4 186 332 39 10 117 213 383 -1399 431 -1052 520 -257 -575 -284 180 478 -60 491 -167 312 146 856 -118 -5 -130 193 646 -292 819 94 632 114 412 69 195 258 177 169 -249 183 -912 325 -1092 -174 -127 -83 -160 -281 35 -120 670 -80 991 -708 7 -306 -269 -6 -50 772 -50 548 191 10 -662 6 147 543 919 -61 187 -637 -34 -583 -338 212 710 443 684 537 -145 -273 -1145 -452 -1531 -112 -650 -186 -437 -32 796 764 1592 1425 1388 85 1479 564 22 -711 -821 -30 -89 1238 -641 -1047 -1400 -604 -575 490 38 -123 66 -612 955 578 1157 134 -86 -770 -913 -301 -708 -14 83 345 71 1305 427 447 363 -476 190 -21 509 -849 505 174 -563 -290 -396 139 -9 383 SS 20241025T081702.8Z 9064.345171 316 1 2.40 2 74.98 136.44 40.19 226.27 0.00 1 0.00 1 0 25 1.476e-01 1.095e-02 1.513e-01 8.782e-03 4.797575e-01 4.464139e-03 6.158838e-03 -6.000000e+00 8.531892e-02 223.00 -2.00 3.88 -2.00 319.36 0.00e+00 1.716960e-03 1.093256e-03 2.462946e-04 -6.000000e+00 3.531809e-03 273.77 -2.00 20.00 -2.00 319.04 0.00e+00 3.785 0.001 302.00 328.00 3 3.0387e+00 1.2148e-02 4.5880e-02 -6.0000e+00 2.1104e-01 6.2099e-02 1.4038e-02 2.6646e-02 -6.0000e+00 2.3120e-01 -2.1018e-02 1.1719e-02 1.3578e-02 -6.0000e+00 1.3640e-01 -2.4246e-03 6.2967e-03 4.0350e-03 -6.0000e+00 5.6199e-02 3.4561e-04 -6.2841e-04 2.6474e-04 4.9324e-05 -6.0000e+00 4.4355e-03 -3.0194e-04 0.0000e+00 12 9 9 12 1 1 999.00 22.94 0.28 -0.00030 -0.00502 2 12 1 5 0 796.562 26.00 20.00 22.94 21.02 35.7 1034.27 -28955 58279 -45715 55848 -76224 70738 -36494 -718 -10532 -41059 7839 -565 7012 -31276 -26252 -18402 14174 -10493 -5554 5787 7191 17101 11742 34701 15871 25242 -8571 11121 -3459 11999 6424 -13046 6336 -6408 11190 -6548 2769 -7130 246 -4901 -1230 -5298 -3735 4932 -510 1091 -8 1586 -2055 4453 3700 5672 2611 -1701 2389 -3212 891 421 2408 450 3644 1407 1414 -298 -7 3042 1392 2667 -232 -1096 -732 -1568 -904 -647 1398 -1382 -951 -317 -239 -952 -2126 -3274 -564 -1749 -415 804 -393 1918 435 -443 -283 1361 1062 1288 771 879 194 -28 180 -1319 -8 -721 742 -1261 -1183 -698 -376 144 439 62 -656 366 328 239 642 993 1189 -92 -628 -1452 32 -64 390 -2 -502 1225 291 1215 -316 911 -1397 717 57 398 -486 255 500 -638 -126 -581 -228 28 277 -664 670 -1351 635 -2693 686 -1015 -16 -283 -1523 200 -18 246 -1858 -1740 -1271 792 -784 -418 408 508 1130 860 2213 1269 1903 -867 920 -330 1078 687 -1868 821 -936 1374 -986 434 -1442 55 -1280 -335 -1567 -1122 1394 -153 326 -2 485 -670 1453 1314 2132 1072 -759 1067 -1539 417 196 1089 209 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