File name: Pandora21s1_Bremen_20230417_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T214740.4Z 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_20230417_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: 20230417 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 20230417T072158.6Z 8507.306929 146 1 49.89 2 64.25 107.92 65.85 149.97 0.00 1 0.00 1 0 25 2.037e-02 4.737e-03 1.417e-02 1.499e-03 3.992581e-01 7.836012e-04 5.260593e-03 -6.000000e+00 1.218376e-02 227.84 -2.00 3.88 -2.00 318.95 0.00e+00 5.957222e-04 1.646944e-04 1.724032e-04 -6.000000e+00 4.882869e-04 272.44 -2.00 20.00 -2.00 318.66 0.00e+00 2.288 0.000 302.00 328.00 3 3.8293e+00 2.1257e-03 3.2531e-02 -6.0000e+00 3.0487e-02 3.9375e-02 2.4085e-03 2.2841e-02 -6.0000e+00 3.3085e-02 -1.1291e-02 1.8235e-03 1.1605e-02 -6.0000e+00 1.9449e-02 -2.1898e-03 9.7763e-04 3.4415e-03 -6.0000e+00 8.1087e-03 6.8598e-04 -6.2628e-04 4.6616e-05 4.0528e-05 -6.0000e+00 6.1104e-04 -1.0659e-02 0.0000e+00 10 0 0 10 0 0 99.85 22.22 0.23 -0.01066 -0.01537 60 12 1 5 0 831.315 25.28 20.00 22.22 17.65 32.2 1027.35 -7048 -9561 -2931 -6625 -1541 -3185 -4182 -8996 -2456 -6100 -8337 -2754 -2377 -3525 -2386 -4904 -2266 -1950 -3830 -1561 57 -1285 -900 -768 -716 -1198 -3570 -1016 -1086 591 871 500 571 -706 -1278 -1328 -945 -853 -728 174 -1150 -842 -668 -632 7 -425 161 -711 -268 446 1167 919 905 1099 929 440 668 227 721 1010 1126 1692 971 880 288 525 635 137 397 678 155 111 -313 -177 180 783 -361 372 303 -244 -544 -1011 -1526 -1061 -1257 -925 -418 -476 -96 -266 381 567 763 994 888 760 930 379 -124 -352 -216 -416 -10 296 -706 -786 -462 -390 -83 -25 -96 -156 -216 -139 71 516 415 414 137 -318 -396 -222 -205 -39 234 399 740 1112 629 420 234 52 279 232 -47 -73 106 28 -356 -170 -175 -361 -185 -206 -326 -99 -226 -46 -93 -129 -325 -93 -258 -374 -124 -121 -216 -171 -411 -202 -185 -392 -163 6 -140 -100 -90 -90 -158 -489 -132 -135 72 113 73 92 -122 -219 -224 -168 -175 -178 50 -349 -273 -226 -218 3 -148 56 -247 -93 157 431 369 392 506 450 221 344 118 367 505 572 908 574 564 193 342 392 83 251 476 121 86 -246 -145 138 542 -230 223 187 -168 -428 -837 -1388 -1022 -1288 -1007 -479 -568 -116 -313 420 577 717 898 833 785 1076 462 -165 -481 -284 -507 -12 347 -876 -975 -601 -533 -119 -39 -150 -255 -356 -219 111 752 588 598 208 -486 -624 -348 -332 -61 349 567 1001 1474 877 636 383 84 468 405 -86 -142 201 55 -703 -330 -328 -686 -338 SS 20230417T072735.0Z 8507.310822 149 1 49.44 2 63.45 109.17 65.43 151.38 0.00 1 0.00 1 0 25 3.616e-02 5.079e-03 2.168e-02 2.339e-03 3.910424e-01 1.224998e-03 5.159270e-03 -6.000000e+00 2.162897e-02 227.84 -2.00 3.88 -2.00 319.00 0.00e+00 7.280518e-04 2.580956e-04 1.677504e-04 -6.000000e+00 8.668087e-04 272.44 -2.00 20.00 -2.00 318.71 0.00e+00 2.225 0.000 302.00 328.00 3 4.5443e+00 3.3194e-03 3.1763e-02 -6.0000e+00 5.4122e-02 5.0539e-02 3.7644e-03 2.2379e-02 -6.0000e+00 5.8733e-02 -1.0094e-02 2.8657e-03 1.1371e-02 -6.0000e+00 3.4526e-02 -3.3005e-03 1.5357e-03 3.3775e-03 -6.0000e+00 1.4395e-02 3.5795e-04 -5.6316e-04 7.3205e-05 4.1211e-05 -6.0000e+00 1.0847e-03 -1.0868e-02 0.0000e+00 10 0 0 10 0 0 98.98 22.22 0.13 -0.01087 -0.01510 40 8 1 5 0 1235.779 25.28 20.00 22.22 17.85 32.2 1028.68 -15212 11875 -12935 -13342 -15404 10433 -11640 5361 4834 -16023 -172 -9544 -493 -4540 2192 428 490 -5083 3041 521 -3421 1473 -1412 1207 -236 -67 -2554 -64 -143 -3753 -414 -256 2973 -4261 755 -2234 710 -2044 -177 -846 -684 -585 -2022 -661 -370 942 -216 -372 -715 514 690 181 1700 455 1105 909 610 305 620 1184 810 1453 902 723 78 969 -390 663 599 365 385 215 98 -349 514 -26 41 -171 103 -324 -699 -1153 -1820 -999 -886 -574 -731 -144 65 116 575 550 455 1106 559 555 838 709 -137 -338 -133 -587 -189 355 -1068 -837 -975 -165 -40 175 103 25 -135 -66 -5 391 559 52 74 -346 -538 -113 -114 -167 290 224 739 842 813 552 187 168 322 336 3 -333 -52 139 -174 -295 -97 -363 -161 -502 344 -495 -502 -552 285 -404 176 177 -764 -7 -469 -25 -282 150 34 42 -489 286 52 -369 153 -154 136 -29 -9 -338 -8 -17 -470 -54 -37 456 -740 123 -369 121 -409 -41 -233 -210 -192 -700 -231 -130 329 -76 -131 -253 184 259 74 731 210 530 451 310 157 313 589 411 775 524 453 51 613 -238 392 369 249 286 169 78 -272 377 -17 26 -102 63 -218 -529 -970 -1663 -956 -892 -610 -817 -166 76 132 620 555 431 1007 528 568 943 877 -182 -461 -175 -730 -220 404 -1284 -1060 -1289 -226 -58 265 165 42 -225 -106 -7 565 787 75 110 -544 -869 -182 -180 -256 428 319 1010 1134 1137 827 298 279 548 588 6 -637 -101 277 -351 -590 -189 -683 -294 SS 20230417T073226.6Z 8507.314197 152 1 50.02 2 62.77 110.27 65.07 152.61 0.00 1 0.00 1 0 25 2.511e-02 4.824e-03 1.558e-02 1.836e-03 3.817449e-01 9.604947e-04 5.032873e-03 -6.000000e+00 1.501832e-02 227.84 -2.00 3.88 -2.00 318.86 0.00e+00 6.529441e-04 1.946936e-04 1.574686e-04 -6.000000e+00 6.018779e-04 272.44 -2.00 20.00 -2.00 318.57 0.00e+00 2.174 0.000 302.00 328.00 3 4.2395e+00 2.5943e-03 3.0990e-02 -6.0000e+00 3.7580e-02 4.4756e-02 2.9333e-03 2.1797e-02 -6.0000e+00 4.0782e-02 -1.1530e-02 2.1815e-03 1.1053e-02 -6.0000e+00 2.3973e-02 -2.0492e-03 1.1664e-03 3.2733e-03 -6.0000e+00 9.9954e-03 5.1901e-04 -5.1837e-04 5.7491e-05 3.9592e-05 -6.0000e+00 7.5317e-04 -1.0861e-02 0.0000e+00 10 0 0 10 0 0 99.56 22.22 0.16 -0.01086 -0.01476 52 10 1 5 0 961.682 25.28 20.00 22.22 18.13 32.3 1030.48 -6435 287 -9584 92 -17046 9351 732 -10166 -6580 1137 -708 -4858 1203 -5934 1200 -6137 2059 -1058 -1217 1784 -2994 -60 1106 2154 -1101 741 -2844 -2165 -1611 -590 549 -1777 2697 -1886 -790 -1348 841 -848 -144 -1237 -1073 -719 -1059 270 62 73 -682 -723 -386 586 671 987 1177 876 480 -163 842 525 488 867 1494 809 1234 930 -108 692 268 431 451 640 109 -554 70 -465 253 -402 97 -256 464 -632 -276 -932 -1493 -1064 -926 -791 -537 304 -235 357 279 678 800 991 889 765 822 553 -285 -240 -297 -535 -116 339 -705 -657 -702 -271 -246 -113 -130 -228 -110 -103 212 316 567 364 348 -403 -471 -329 -40 -70 250 372 548 1212 393 528 162 138 63 172 222 -142 59 37 -315 -136 -280 -465 74 -218 10 -394 3 -686 284 25 -426 -296 51 -33 -251 66 -410 90 -561 189 -107 -130 193 -348 -7 128 260 -146 101 -408 -300 -213 -77 76 -277 443 -342 -140 -235 152 -178 -36 -362 -350 -250 -384 99 23 27 -255 -268 -143 220 264 416 531 420 241 -85 444 279 257 449 782 450 741 601 -73 452 168 263 286 446 83 -449 57 -372 191 -281 62 -157 289 -436 -212 -796 -1382 -1034 -945 -852 -606 352 -276 409 305 693 765 916 847 789 932 687 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