File name: Pandora21s1_Bremen_20240722_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T173310.0Z 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 v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240722_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: 20240722 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 20240722T074156.0Z 8969.320788 292 1 51.30 2 54.57 104.08 119.16 271.76 0.00 1 0.00 1 0 17 1.896e-02 6.160e-03 1.533e-02 4.089e-03 2.687625e-01 2.134636e-03 3.513330e-03 -6.000000e+00 1.139854e-02 233.72 -2.00 3.88 -2.00 317.84 0.00e+00 1.112892e-03 3.161540e-04 7.257692e-05 -6.000000e+00 4.537202e-04 282.77 -2.00 20.00 -2.00 317.48 0.00e+00 1.720 0.000 302.00 328.00 3 6.2146e+00 5.7284e-03 2.3448e-02 -6.0000e+00 2.8912e-02 6.5808e-02 6.4030e-03 1.5595e-02 -6.0000e+00 3.1425e-02 -4.6811e-03 3.9660e-03 7.6004e-03 -6.0000e+00 1.8388e-02 -1.0355e-03 1.9507e-03 2.0907e-03 -6.0000e+00 7.4100e-03 1.3279e-04 -5.8749e-04 1.2934e-04 2.5667e-05 -6.0000e+00 5.7141e-04 7.6121e-04 0.0000e+00 10 0 0 10 0 0 99.97 23.18 0.43 0.00076 -0.00365 13 3 1 5 0 3945.747 26.21 20.00 23.18 25.78 35.7 995.61 9646 -5081 -2194 -10159 -8867 1845 -4079 -844 -3521 -1540 -360 -1062 -575 -4512 201 252 -424 3845 -178 -1329 2428 1830 1581 -144 -171 1741 2146 3114 1304 -1495 -64 1916 -618 641 -2086 -1908 -1732 -1622 -1843 -2217 -663 -615 -1323 808 1184 -765 -441 613 324 -276 2387 1963 29 -340 806 484 878 749 480 -43 801 1082 88 270 199 -501 543 107 814 -442 1107 -61 -188 245 -231 -194 -1934 -721 -1143 -181 -914 -1683 -386 -1475 139 194 778 270 146 489 434 -213 47 426 -78 1348 367 683 -180 206 -1773 -793 -643 -1035 -1001 -364 -373 -179 226 441 535 322 -179 -398 359 230 -261 -444 -403 51 13 571 11 350 41 218 1225 260 524 340 235 -176 80 -17 -131 241 230 -77 -133 -253 -89 -2 -716 790 -508 -210 -975 -782 147 -373 -83 -381 -167 -39 -125 -77 -717 34 46 -81 736 -37 -285 506 387 347 -34 -42 422 503 686 283 -342 -16 492 -170 172 -556 -527 -538 -592 -784 -1053 -330 -317 -700 421 615 -402 -226 307 162 -143 1279 1120 18 -216 518 317 577 488 311 -28 551 796 70 218 155 -368 379 77 631 -379 991 -56 -171 210 -184 -141 -1339 -495 -848 -148 -825 -1645 -392 -1591 157 231 954 337 180 573 473 -216 45 412 -80 1510 453 897 -243 270 -2214 -927 -741 -1252 -1282 -484 -516 -257 339 691 862 516 -277 -578 488 303 -350 -622 -597 78 21 863 16 496 57 285 1549 340 720 493 353 -271 126 -28 -223 423 412 -140 -241 -449 -152 -4 -1202 SS 20240722T084239.6Z 8969.362959 326 1 3.64 2 46.11 119.03 127.59 284.40 0.00 1 0.00 1 0 17 9.306e-03 6.205e-03 7.332e-03 4.155e-03 2.205647e-01 2.208147e-03 2.908216e-03 -6.000000e+00 5.594655e-03 233.72 -2.00 3.88 -2.00 315.76 0.00e+00 -1.463057e-04 2.002086e-04 3.163303e-05 -6.000000e+00 2.226772e-04 282.77 -2.00 20.00 -2.00 315.43 0.00e+00 1.440 0.000 302.00 328.00 3 4.6828e+00 5.7891e-03 1.9380e-02 -6.0000e+00 1.4191e-02 2.3549e-02 6.4316e-03 1.2700e-02 -6.0000e+00 1.5424e-02 -1.5913e-03 3.6649e-03 6.1700e-03 -6.0000e+00 9.0250e-03 -7.0797e-04 1.5987e-03 1.6786e-03 -6.0000e+00 3.6372e-03 9.0178e-04 -2.6173e-04 1.2772e-04 2.3110e-05 -6.0000e+00 2.8044e-04 1.8625e-04 0.0000e+00 12 1 1 12 1 1 999.00 23.08 0.27 0.00019 -0.00178 2 8 1 5 0 1210.710 26.11 20.00 23.08 24.95 35.9 994.03 -2093 -1188 -2676 4099 189 1919 321 -1036 -148 -511 1493 -1482 -783 -2864 -390 -1487 2224 -1186 -344 1463 167 811 1224 1200 -657 654 -253 998 528 422 820 1441 -496 342 -78 -1748 -1759 -353 -366 -1112 -480 -346 -728 -539 -1464 -1 -961 1137 1373 352 121 805 401 -141 814 387 881 864 1319 1619 386 1642 349 597 -587 459 -320 857 62 -848 -266 -368 -1010 -256 324 145 946 -195 -479 -763 -704 -945 -1020 -674 -830 -497 -98 -63 -1088 -72 270 714 394 1076 854 1193 893 -326 -428 -538 -817 -5 539 -485 -503 -629 368 175 -179 -31 -234 -60 -5 5 544 -286 714 488 -283 -397 -160 -197 -426 328 466 678 804 882 167 570 -265 229 -138 615 51 277 77 -153 -28 -192 -549 -558 -431 -507 -297 -665 899 40 402 73 -261 -39 -138 400 -426 -244 -999 -144 -578 863 -484 -143 612 71 345 533 543 -310 308 -117 436 224 180 365 670 -241 162 -36 -845 -930 -207 -239 -785 -352 -258 -551 -407 -1111 -1 -707 813 974 255 91 627 323 -117 679 328 746 727 1101 1362 338 1489 331 572 -551 409 -277 745 57 -836 -271 -380 -1036 -254 304 128 792 -164 -423 -721 -707 -994 -1109 -757 -970 -601 -121 -78 -1350 -86 308 768 409 1116 924 1363 1080 -414 -550 -679 -992 -6 623 -582 -627 -809 483 236 -248 -44 -339 -86 -7 7 695 -359 899 633 -383 -552 -224 -273 -582 435 601 849 988 1099 216 759 -362 314 -192 877 76 418 118 -237 -43 -293 -823 -823 -635 SS 20240722T085240.0Z 8969.369908 333 1 30.09 2 44.81 121.78 128.94 286.64 0.00 1 0.00 1 0 17 7.180e-03 5.145e-03 3.315e-04 1.525e-04 2.110838e-01 8.014188e-05 2.794283e-03 -6.000000e+00 4.315847e-03 233.71 -2.00 3.88 -2.00 316.53 0.00e+00 8.950628e-05 8.616176e-06 3.829882e-05 -6.000000e+00 1.718134e-04 282.77 -2.00 20.00 -2.00 316.17 0.00e+00 1.408 0.000 302.00 328.00 3 2.4639e-01 2.1180e-04 1.8808e-02 -6.0000e+00 1.0947e-02 -7.7152e-03 2.3593e-04 1.2241e-02 -6.0000e+00 1.1899e-02 3.4211e-03 1.3644e-04 5.9530e-03 -6.0000e+00 6.9625e-03 -2.9469e-03 6.1532e-05 1.6222e-03 -6.0000e+00 2.8054e-03 8.0991e-02 -5.5508e-04 4.7562e-06 2.1410e-05 -6.0000e+00 2.1638e-04 1.5023e-03 0.0000e+00 10 0 0 10 0 0 99.84 23.07 0.31 0.00150 -0.00267 2554 501 1 5 0 10.675 26.11 20.00 23.07 25.77 36.2 999.05 -2698 -1911 -679 570 129 -1066 -1459 -941 -788 149 4 -1001 -1687 -1352 -1191 -408 122 222 422 488 1118 1031 574 224 288 99 614 1285 1446 1154 1089 930 -353 -307 -167 -866 -828 -781 -950 -1047 -772 -771 -656 -435 -493 -506 -544 -181 323 585 590 840 706 605 780 795 599 794 986 1166 1251 1099 701 -62 17 -48 180 682 485 -46 -180 -326 -335 -272 -150 -41 70 477 -26 -401 -873 -1430 -1194 -1015 -812 -556 -376 -206 -302 -25 63 383 762 1007 721 870 619 -143 -430 -376 -640 -63 290 -329 -509 -487 -400 -74 67 67 -118 -162 -122 41 390 556 444 395 -106 -434 -176 -186 -42 324 402 741 1181 885 650 407 122 174 238 72 -157 -75 50 -356 -256 -239 -367 -258 -318 -513 -376 -129 98 21 -171 -255 -182 -163 31 1 -224 -423 -381 -338 -121 37 70 137 162 371 344 199 82 110 38 225 439 513 413 378 345 -138 -117 -61 -332 -359 -400 -570 -647 -506 -522 -450 -298 -336 -340 -355 -114 201 371 395 594 524 465 612 635 482 630 774 928 1047 919 624 -57 15 -41 147 563 440 -43 -180 -332 -335 -258 -131 -34 54 366 -21 -373 -837 -1490 -1312 -1100 -941 -683 -482 -267 -386 -30 70 412 764 1011 776 960 754 -188 -546 -492 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