File name: Pandora21s1_Bremen_20220204_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240903T105255.3Z 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_20220204_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: 20220204 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 20220204T100601.5Z 8070.420851 161 1 49.99 2 72.07 156.61 80.16 113.86 0.00 1 0.00 1 0 25 9.844e-02 5.794e-03 8.418e-02 4.528e-03 4.478823e-01 2.354546e-03 5.818089e-03 -6.000000e+00 5.764372e-02 222.76 -2.00 3.88 -2.00 319.75 0.00e+00 1.121484e-04 6.233265e-04 2.593234e-04 -6.000000e+00 2.357653e-03 265.81 -2.00 20.00 -2.00 319.45 0.00e+00 3.206 0.001 302.00 328.00 3 4.3923e+00 6.4819e-03 4.0384e-02 -6.0000e+00 1.4260e-01 9.3549e-02 7.6002e-03 2.5182e-02 -6.0000e+00 1.5541e-01 -7.6889e-05 6.7746e-03 1.3236e-02 -6.0000e+00 9.1691e-02 -1.4013e-02 3.6427e-03 4.1437e-03 -6.0000e+00 3.8539e-02 1.5442e-04 -3.6139e-04 1.4345e-04 5.1824e-05 -6.0000e+00 2.9505e-03 3.9572e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.32 0.15 0.00396 0.00124 38 7 1 5 0 1315.426 25.28 20.00 22.32 15.58 28.1 1017.99 -7198 83365 -37701 6785 1813 38471 22052 -8394 -7057 -11987 9467 -36540 10728 -6143 7086 -5292 4607 5670 5926 -3252 3948 16296 1539 5620 -1554 1217 -7600 -3977 -5420 -5635 1236 -6626 7246 -392 -7015 431 -298 -769 980 -970 -3133 -311 -3310 881 -5391 -1492 128 136 -968 -181 2972 718 1112 1502 3356 171 249 -201 699 1545 2476 -1483 753 93 1621 894 -402 659 920 297 200 -1002 925 540 276 356 -675 -377 959 -384 -56 -230 -1951 -622 -205 -450 -384 -1035 -577 392 523 1030 1135 216 1005 871 678 743 -629 -61 -657 -551 -617 131 -1085 -778 78 234 -79 -227 69 -439 -157 438 305 144 723 279 268 -562 -540 -176 275 87 166 153 116 1494 -207 59 531 -118 -54 -7 10 -205 125 74 -55 -86 -95 -418 146 -124 754 -987 119 31 481 334 -183 -168 -320 219 -1356 302 -236 284 -269 234 306 338 -211 247 921 103 387 -123 99 -676 -334 -448 -474 106 -690 735 -45 -848 48 -36 -108 162 -192 -709 -73 -838 219 -1436 -386 33 35 -255 -49 834 224 374 537 1239 67 101 -82 279 604 978 -650 354 48 852 463 -202 326 482 174 129 -689 628 356 171 201 -354 -190 502 -228 -38 -173 -1621 -542 -188 -440 -394 -1103 -616 405 510 932 965 181 883 845 737 895 -825 -82 -844 -656 -685 142 -1254 -949 99 310 -112 -344 112 -744 -265 712 469 211 1031 408 411 -909 -892 -286 434 134 246 217 159 2014 -300 92 885 -207 -98 -12 20 -425 266 161 -121 -186 -198 -839 282 SS 20220204T101033.8Z 8070.424003 163 1 50.85 2 71.81 157.72 79.54 114.78 0.00 1 0.00 1 0 25 6.887e-02 6.765e-03 6.223e-02 4.432e-03 4.376769e-01 2.297105e-03 5.717663e-03 -6.000000e+00 4.031953e-02 222.76 -2.00 3.88 -2.00 319.65 0.00e+00 1.239937e-03 5.884136e-04 2.395663e-04 -6.000000e+00 1.649329e-03 265.81 -2.00 20.00 -2.00 319.35 0.00e+00 3.162 0.001 302.00 328.00 3 4.4970e+00 6.2948e-03 3.9690e-02 -6.0000e+00 9.9741e-02 1.0650e-01 7.3241e-03 2.4590e-02 -6.0000e+00 1.0871e-01 -2.6718e-02 6.3036e-03 1.2835e-02 -6.0000e+00 6.4137e-02 9.7746e-04 3.3925e-03 3.9837e-03 -6.0000e+00 2.6952e-02 1.4648e-04 -7.2900e-04 1.3966e-04 5.0120e-05 -6.0000e+00 2.0641e-03 5.0920e-03 0.0000e+00 11 8 0 10 0 0 99.97 22.32 0.21 0.00509 -0.00039 34 7 1 5 0 1495.301 25.28 20.00 22.32 15.72 28.1 1018.39 2940 -21744 10171 -12824 37242 -13251 -20501 -16570 8871 -22700 -13970 -23997 -26954 10201 -8580 14603 -11516 -2131 -6526 3162 -11789 7078 -1155 -5240 1663 -2212 5583 -12153 -1402 2661 9994 6392 490 4401 -3580 5800 -4077 -970 901 -1077 -5071 1227 -808 -1146 1746 -720 -357 -2706 3055 765 3325 -184 1297 2329 -1297 1538 -826 1578 -429 2045 346 1917 1271 886 -72 -122 1097 588 -83 194 711 51 46 -510 -571 1814 38 2377 -1209 877 -1753 -1975 -1580 -962 -1121 -1442 563 -656 633 88 527 827 1530 318 716 697 761 782 -620 424 -777 -626 -433 413 -1139 -1227 110 -526 513 -336 84 -388 159 -308 278 500 5 736 68 124 -796 468 -592 33 57 564 363 662 760 -338 599 -326 77 116 546 -293 121 181 -406 -114 -366 186 -290 54 -553 206 -310 551 -294 -508 -439 208 -746 -442 -890 -1179 379 -444 696 -761 -138 -467 216 -950 483 -87 -437 139 -201 475 -1191 -121 225 857 637 57 523 -452 663 -546 -146 158 -226 -1234 301 -211 -307 459 -195 -97 -754 818 216 976 -61 454 861 -520 621 -349 654 -178 822 144 841 614 466 -40 -66 560 299 -45 116 465 36 32 -347 -364 1034 20 1195 -658 523 -1218 -1533 -1326 -850 -1049 -1436 579 -705 676 92 522 760 1312 270 635 681 831 946 -816 563 -1004 -750 -484 452 -1325 -1510 140 -706 723 -511 135 -656 269 -503 428 728 7 1071 105 200 -1316 758 -943 50 84 801 498 900 1087 -528 994 -571 138 215 1063 -600 255 389 -878 -243 -757 368 -557 SS 20220204T102754.7Z 8070.436050 172 1 51.16 2 70.91 162.01 77.21 118.35 0.00 1 0.00 1 0 17 1.874e-01 9.849e-03 1.584e-01 7.890e-03 4.193600e-01 4.085557e-03 5.511581e-03 -6.000000e+00 1.097467e-01 222.76 -2.00 3.88 -2.00 319.50 0.00e+00 1.395108e-03 9.997046e-04 2.145255e-04 -6.000000e+00 4.488520e-03 265.81 -2.00 20.00 -2.00 319.21 0.00e+00 3.022 0.001 302.00 328.00 3 5.3278e+00 1.1147e-02 3.7978e-02 -6.0000e+00 2.7149e-01 1.2928e-01 1.2881e-02 2.3552e-02 -6.0000e+00 2.9587e-01 -1.8858e-03 1.0822e-02 1.2242e-02 -6.0000e+00 1.7457e-01 -1.0822e-02 5.8478e-03 3.7801e-03 -6.0000e+00 7.3375e-02 7.2843e-05 -6.1396e-04 2.5031e-04 4.7528e-05 -6.0000e+00 5.6171e-03 3.6868e-03 0.0000e+00 12 9 8 11 8 0 99.99 22.32 0.46 0.00369 -0.00093 25 5 1 5 0 2046.074 25.28 20.00 22.32 16.00 28.2 1019.61 108669 35373 4892 -10986 -9497 109830 6397 120343 4818 -8780 -20775 29147 54432 -6154 33631 -16767 15233 -6452 13167 -13139 4521 -13599 19837 7510 -7344 -5222 -8301 4827 4480 12589 9185 763 -8965 -2558 5292 -1607 3949 -3967 -2029 -3802 -1281 -554 -802 697 -1165 -1494 -3506 5081 -4249 -1879 -497 208 -465 2402 3262 2597 1588 -2879 1553 1664 3097 -1762 1548 1968 402 -728 212 3055 1031 458 -1742 2570 -1581 1368 1109 -2104 1266 -1040 -617 -1149 809 -1159 -2615 -1982 -1202 -1401 1039 161 74 467 -464 311 -1536 2622 -148 1647 1626 550 -131 -156 935 -1843 962 415 -1062 -1822 805 -67 -175 396 -497 903 6 -452 -317 1151 -593 -556 -366 159 388 -1357 1176 -583 618 -388 933 1221 -1187 483 -77 300 131 515 -378 -223 10 187 -320 2 643 -739 3 927 637 120 -302 -243 972 145 1125 135 -294 -800 776 1327 -300 1350 -1196 886 -488 880 -1165 350 -1255 1383 620 -740 -539 -891 448 405 1070 872 88 -1246 -353 667 -214 531 -662 -395 -881 -323 -148 -224 197 -338 -438 -1052 1405 -1299 -578 -160 72 -175 935 1318 1092 689 -1307 665 705 1321 -840 782 1073 231 -411 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