File name: Pandora21s1_Bremen_20240306_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240306T233816.1Z 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_20240306_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: 20240306 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 20240306T091310.6Z 8831.384151 157 1 49.85 2 65.77 140.44 82.60 196.48 0.00 1 0.00 1 0 25 4.924e-02 5.604e-03 3.168e-02 2.567e-03 4.349485e-01 1.337252e-03 5.712091e-03 -6.000000e+00 2.914057e-02 224.58 -2.00 3.88 -2.00 319.39 0.00e+00 1.008957e-03 3.194203e-04 2.194490e-04 -6.000000e+00 1.181709e-03 267.61 -2.00 20.00 -2.00 319.11 0.00e+00 2.420 0.000 302.00 328.00 3 4.4731e+00 3.6423e-03 3.4528e-02 -6.0000e+00 7.2381e-02 6.8867e-02 4.1951e-03 2.4563e-02 -6.0000e+00 7.8691e-02 -1.5728e-02 3.4833e-03 1.2732e-02 -6.0000e+00 4.6370e-02 -2.4102e-03 1.8803e-03 3.8990e-03 -6.0000e+00 1.9482e-02 2.9983e-04 -6.5393e-04 7.9874e-05 4.8004e-05 -6.0000e+00 1.4760e-03 -4.0363e-02 5.9979e-05 10 0 0 10 0 0 99.39 22.22 0.19 -0.04036 -0.04528 61 12 1 5 0 817.071 25.39 20.00 22.22 12.31 34.6 1024.08 -26541 9544 -12220 -9868 2845 -19357 -24541 -18763 2276 -18690 9206 -745 2316 3348 -3293 2065 -2074 119 -7702 3337 -8187 9328 -729 -371 -118 -2504 -1755 -2558 1720 -1419 6258 -2458 4935 -2723 2819 -80 -4094 -1370 -2152 938 -2813 -54 -2023 649 -2465 -176 1350 -2374 735 -773 3049 -900 2846 54 1652 813 47 513 -518 1148 493 2211 169 1368 -743 1762 -143 -297 1737 -693 253 -337 441 211 459 0 285 67 172 -196 -524 -230 -1613 -1278 -1378 -918 -205 -367 138 250 737 552 1033 1052 1596 670 992 602 -228 -453 -395 -446 -247 354 -755 -828 -688 -290 -69 -189 -11 -461 -143 -211 281 347 451 169 36 -277 -455 103 -244 383 -279 261 404 1273 722 91 218 81 93 337 308 -116 151 -85 -152 -111 -269 -105 -416 -671 200 -331 -259 63 -500 -685 -548 61 -654 262 -24 84 142 -175 120 -137 8 -613 251 -708 692 -61 -33 -11 -252 -179 -258 161 -137 603 -288 601 -381 373 -11 -595 -221 -416 208 -728 -15 -585 188 -742 -52 397 -724 220 -241 967 -321 1057 22 696 357 21 234 -235 506 221 1032 87 762 -442 1010 -80 -163 974 -438 175 -248 327 153 313 0 164 37 97 -122 -371 -181 -1400 -1173 -1332 -937 -219 -406 154 273 764 536 936 922 1440 664 1090 733 -302 -616 -523 -553 -284 396 -885 -1025 -890 -391 -98 -285 -18 -776 -242 -346 437 511 646 246 54 -441 -744 168 -388 590 -417 373 557 1715 1017 139 354 137 163 610 582 -230 309 -177 -319 -231 -544 -203 -784 SS 20240306T091839.0Z 8831.387951 161 1 5.91 2 65.26 141.83 82.83 197.64 0.00 1 0.00 1 0 25 2.357e-02 5.462e-03 1.349e-02 1.957e-03 4.279315e-01 1.015225e-03 5.677546e-03 -6.000000e+00 1.394836e-02 224.58 -2.00 3.88 -2.00 318.29 0.00e+00 4.796452e-04 1.799411e-04 1.567711e-04 -6.000000e+00 5.655524e-04 267.61 -2.00 20.00 -2.00 318.00 0.00e+00 2.373 0.000 302.00 328.00 3 2.7968e+00 2.6930e-03 3.3803e-02 -6.0000e+00 3.4646e-02 5.2988e-02 3.0312e-03 2.3948e-02 -6.0000e+00 3.7664e-02 -3.1325e-02 2.1305e-03 1.2186e-02 -6.0000e+00 2.2194e-02 6.3929e-03 1.1372e-03 3.6165e-03 -6.0000e+00 9.3267e-03 1.7199e-03 -4.8254e-04 5.8581e-05 4.3634e-05 -6.0000e+00 7.0628e-04 -4.1344e-02 8.1794e-05 12 1 1 12 1 1 72.55 22.22 0.21 -0.04134 -0.04497 21 37 1 5 0 268.178 25.39 20.00 22.22 12.60 34.7 1026.01 -7347 -3914 -6514 -11485 -9418 -5629 -12486 -3405 -7698 -1741 -845 -4617 -5712 -429 -2284 -4336 -598 3554 -1420 313 -1110 1910 929 -352 -842 -1743 -1097 -2704 -272 236 389 45 2408 -709 -834 -1167 169 -843 -187 -741 -1339 -892 -522 -222 -395 -385 122 -296 -235 381 516 1255 1113 741 944 578 753 561 745 732 1005 1353 1144 775 151 444 -139 330 558 692 -218 -390 -355 -256 -100 22 580 45 391 -466 -257 -412 -1672 -1176 -1348 -912 -791 -362 -232 -254 63 735 1222 1232 1051 467 1084 405 -176 -409 -432 -387 -264 507 -563 -835 -701 -422 -193 152 -159 -307 -353 -123 -26 953 648 566 285 -300 -328 -74 -33 -29 86 323 488 1173 720 397 173 -107 343 209 -178 -176 -46 283 -215 -322 -158 -399 -264 -288 -171 -311 -568 -425 -232 -570 -158 -419 -97 -49 -292 -416 -35 -212 -474 -69 424 -189 43 -159 269 135 -55 -141 -311 -198 -483 -46 39 69 9 488 -159 -185 -254 38 -220 -58 -257 -530 -380 -218 -95 -170 -166 52 -128 -102 168 241 631 606 409 548 349 466 350 456 441 611 867 763 566 111 335 -100 232 408 533 -179 -342 -316 -222 -85 17 427 31 280 -355 -224 -385 -1658 -1184 -1441 -992 -910 -431 -279 -300 70 784 1258 1221 1081 509 1265 513 -235 -565 -577 -497 -325 602 -705 -1072 -910 -575 -268 226 -247 -486 -564 -190 -39 1367 903 801 424 -458 -517 -115 -51 -43 126 450 673 1577 1017 590 269 -170 565 346 -311 -314 -82 518 -399 -592 -287 -696 -455 SS 20240306T092645.9Z 8831.393586 166 1 27.31 2 64.52 143.90 83.18 199.36 0.00 1 0.00 1 0 17 4.895e-02 6.236e-03 4.900e-02 4.845e-03 4.190376e-01 2.509735e-03 5.549605e-03 -6.000000e+00 2.896512e-02 224.58 -2.00 3.88 -2.00 318.89 0.00e+00 6.885727e-04 5.246378e-04 1.797739e-04 -6.000000e+00 1.174702e-03 267.61 -2.00 20.00 -2.00 318.61 0.00e+00 2.310 0.000 302.00 328.00 3 5.4853e+00 6.7473e-03 3.3090e-02 -6.0000e+00 7.1945e-02 1.0476e-01 7.6687e-03 2.3585e-02 -6.0000e+00 7.8221e-02 -3.0456e-02 5.8659e-03 1.2096e-02 -6.0000e+00 4.6093e-02 3.4463e-03 3.1677e-03 3.6416e-03 -6.0000e+00 1.9363e-02 1.2185e-04 -7.7449e-04 1.4850e-04 4.4147e-05 -6.0000e+00 1.4674e-03 -3.9628e-02 4.5785e-05 12 1 1 12 1 1 99.29 22.22 0.22 -0.03963 -0.04545 6 3 1 5 0 3899.411 25.39 20.00 22.22 13.13 34.9 1028.80 -4659 31851 -16114 -1802 -19501 5208 11311 14934 3186 7309 1702 -15952 8218 -12694 13040 -3133 -7877 -2637 1031 -746 -947 -10254 281 -5552 -8130 -4498 -2236 3947 4075 5751 766 2997 -2326 1544 1550 -2716 2296 -2022 -2350 638 -2024 -203 -1629 210 -1157 -420 326 -365 -1267 -735 2252 913 1636 691 318 1164 1312 -747 2382 575 1150 1620 1711 -255 790 1065 331 735 -1141 -151 1588 -883 393 354 -634 629 36 -820 108 -1254 -1224 -693 -864 -1055 -175 -706 -484 -329 211 77 196 871 728 930 606 -187 187 367 502 -247 -208 -1057 289 50 -1251 -1435 -960 -33 -29 764 -140 427 -97 -21 -83 -627 -97 248 294 -288 -146 -291 458 848 489 299 -351 309 182 64 323 531 935 159 12 -154 456 -353 -110 -224 -279 -366 -377 -132 737 -616 -60 -711 144 306 431 114 272 69 -809 375 -833 791 -254 -732 -249 100 -77 -100 -1200 30 -669 -1072 -603 -299 486 482 667 99 424 -384 262 261 -466 393 -410 -567 176 -641 -68 -575 75 -419 -152 117 -132 -464 -274 858 379 725 328 158 594 685 -399 1222 296 594 877 1002 -164 525 694 208 450 -737 -106 1197 -718 320 282 -482 438 23 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