File name: Pandora21s1_Bremen_20240315_L2Fit_fout2c10d20231020p1-8.txt File generation date: 20250501T001208.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c10p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v10d20231020.txt Level 1 file used: Pandora21s1_Bremen_20240315_L1_smca1c10d20231020p1-8.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: 20240315 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 20240315T064821.0Z 8840.283577 80 1 23.42 2 80.47 106.26 94.24 40.34 0.00 1 0.00 1 0 17 4.490e-01 8.876e-03 2.329e-01 5.474e-03 7.291332e-01 3.033394e-03 8.624167e-03 -6.000000e+00 2.650720e-01 225.07 -2.00 3.88 -2.00 321.52 0.00e+00 2.672775e-03 1.251926e-03 8.779216e-04 -6.000000e+00 1.167568e-02 268.37 -2.00 20.00 -2.00 321.16 0.00e+00 5.758 0.004 302.00 328.00 3 1.7364e+00 9.2345e-03 7.0744e-02 -6.0000e+00 6.5704e-01 1.4411e-01 1.3454e-02 4.2703e-02 -6.0000e+00 7.1992e-01 -1.5363e-01 1.6193e-02 2.3757e-02 -6.0000e+00 4.2106e-01 5.4192e-02 7.9080e-03 7.8620e-03 -6.0000e+00 1.7372e-01 1.5354e-04 -1.2312e-03 1.6758e-04 1.0888e-04 -6.0000e+00 1.3895e-02 2.2703e-04 0.0000e+00 12 9 1 12 9 1 43.98 22.38 0.29 0.00023 -0.00902 45 19 1 5 0 508.931 25.47 19.99 22.38 19.29 35.2 1004.65 -215844 -105805 900000 900000 900000 900000 -210223 -181594 -215661 39357 -139609 -88340 -83554 900000 -95649 -59517 28109 -73184 51534 -66635 41862 -46431 -48368 -60348 -22230 17333 -66413 -9831 -48745 25210 -16165 6940 -14429 15119 1643 -4004 13823 -12189 22128 -13558 6893 -861 11100 5319 8734 9153 100 4668 1092 7905 6363 8231 4872 8434 1199 3718 1866 -2217 1043 -3785 4264 857 7385 1010 4111 3361 -76 5587 815 1359 -1544 5101 3044 -835 -1987 616 -2201 -268 720 -1717 383 -1557 329 -1702 -278 -905 -409 462 -111 1728 -187 340 -882 1957 102 753 395 -862 83 -731 -807 -893 972 -1648 -882 -1606 224 -494 -193 240 -672 -179 -1012 -193 245 882 360 374 547 -282 880 356 265 12 155 531 1263 136 426 -208 -77 291 -193 -29 -247 71 125 -269 263 41 40 -378 -321 -2226 -564 900000 900000 900000 900000 -2616 -2076 -3604 210 -1436 -673 -796 900000 -1565 -862 193 -1431 334 -1374 319 -826 -946 -1459 -395 231 -1913 -172 -1248 384 -425 173 -498 398 49 -134 447 -585 915 -931 427 -58 736 383 623 671 8 372 97 729 673 955 644 1162 188 590 306 -351 166 -639 713 158 1453 232 943 775 -19 1399 243 453 -567 1776 1042 -275 -600 167 -605 -78 243 -704 179 -789 177 -998 -171 -593 -277 314 -74 1080 -112 193 -511 1198 73 626 381 -894 90 -775 -830 -832 844 -1511 -853 -1655 242 -556 -241 336 -1037 -286 -1623 -296 359 1256 527 573 877 -462 1392 543 390 18 213 703 1666 197 697 -366 -148 594 -420 -65 -582 173 310 -678 646 95 92 -829 -699 SS 20240315T085855.3Z 8840.374252 159 1 4.46 2 63.73 135.87 79.04 64.65 0.00 1 0.00 1 0 17 1.078e-02 5.174e-03 5.187e-03 1.594e-03 3.182557e-01 8.130742e-04 4.216127e-03 -6.000000e+00 6.283270e-03 225.08 -2.00 3.88 -2.00 317.30 0.00e+00 3.670572e-04 1.093832e-04 7.922556e-05 -6.000000e+00 2.580774e-04 268.38 -2.00 20.00 -2.00 316.97 0.00e+00 2.247 0.000 302.00 328.00 3 2.4355e+00 2.1317e-03 2.8502e-02 -6.0000e+00 1.5614e-02 3.5752e-02 2.3953e-03 1.7708e-02 -6.0000e+00 1.7080e-02 -1.5991e-02 1.4601e-03 8.8460e-03 -6.0000e+00 1.0062e-02 2.5227e-03 7.1775e-04 2.5265e-03 -6.0000e+00 4.1278e-03 3.3835e-03 -7.5652e-04 4.8975e-05 3.1745e-05 -6.0000e+00 3.2428e-04 -4.1721e-04 0.0000e+00 12 1 1 12 1 1 99.71 22.37 0.27 -0.00042 -0.00610 26 60 1 5 0 164.958 25.47 20.00 22.37 18.86 35.5 1004.24 -2392 -4015 -877 -195 2504 -3222 -2239 -4373 -2579 -1492 -2208 3 -4364 879 -2337 635 -791 64 502 1004 1304 466 462 3 1262 -1129 1372 961 1204 443 511 2089 -845 184 -1027 -829 -1862 -13 -1160 -1357 -383 -873 -712 -421 428 -614 -162 -394 14 387 537 687 533 905 623 1149 221 549 763 847 1181 1161 692 322 39 -198 75 642 478 60 42 -156 -336 -154 -63 288 -158 714 -186 -235 -1010 -1419 -1194 -1159 -810 -513 -67 -211 56 93 185 353 842 826 821 779 473 -118 -609 -347 -788 -40 472 -252 -666 -585 -393 -130 -105 -326 -157 -224 -129 -2 524 636 495 536 -254 -355 -202 44 -42 53 319 671 1300 664 467 289 132 170 300 -11 -174 -21 62 -355 -96 -184 -305 -57 -553 -243 -441 -92 -19 237 -324 -226 -506 -317 -187 -286 0 -727 161 -468 134 -178 15 122 250 326 119 123 1 371 -345 397 265 321 123 155 638 -281 60 -327 -274 -706 -5 -577 -719 -216 -488 -405 -240 242 -368 -95 -229 8 233 328 449 351 621 442 828 162 395 541 608 891 905 584 269 33 -158 58 504 395 55 39 -150 -315 -142 -53 230 -124 562 -154 -209 -969 -1427 -1272 -1257 -935 -602 -81 -262 68 107 203 371 873 837 902 915 595 -156 -802 -457 -968 -48 564 -306 -836 -773 -524 -182 -151 -484 -242 -345 -190 -3 713 864 659 751 -368 -518 -297 65 -60 75 431 895 1678 890 651 418 194 256 465 -17 -282 -36 104 -604 -161 -311 -495 -93 -893 SS 20240315T094009.2Z 8840.402885 184 1 50.29 2 59.85 146.71 73.41 71.95 0.00 1 0.00 1 0 17 8.262e-03 4.627e-03 2.470e-03 6.190e-04 2.857555e-01 3.150767e-04 3.788473e-03 -6.000000e+00 4.814137e-03 225.08 -2.00 3.88 -2.00 317.94 0.00e+00 3.076456e-04 4.947314e-05 8.305220e-05 -6.000000e+00 1.977244e-04 268.38 -2.00 20.00 -2.00 317.59 0.00e+00 1.983 0.000 302.00 328.00 3 2.6246e+00 8.3279e-04 2.5382e-02 -6.0000e+00 1.1963e-02 3.6051e-02 9.3710e-04 1.5982e-02 -6.0000e+00 1.3086e-02 -9.8868e-03 5.9664e-04 7.9976e-03 -6.0000e+00 7.7091e-03 -8.1102e-04 3.0128e-04 2.2955e-03 -6.0000e+00 3.1627e-03 3.7856e-03 -6.2564e-04 1.9557e-05 2.8720e-05 -6.0000e+00 2.4845e-04 -6.8751e-04 0.0000e+00 10 0 0 10 0 0 99.99 22.37 0.16 -0.00069 -0.00539 546 107 1 5 0 91.901 25.47 20.00 22.37 20.07 35.5 1008.58 -2941 -1814 -1393 962 -320 -1422 -2492 -1641 -1251 -1339 -688 -1756 -2657 -2048 -1775 -1083 -450 177 134 948 1070 1044 334 -73 -241 -664 376 629 1301 316 894 584 -760 -653 -357 -986 -950 -810 -1113 -1152 -946 -647 -735 -426 -357 -439 -464 -258 405 466 681 878 753 728 791 819 550 781 967 1287 1267 1170 769 45 10 20 319 824 543 -4 -95 -201 -205 -102 -25 34 120 558 -38 -333 -900 -1343 -1272 -1006 -793 -593 -317 -70 -136 201 203 444 806 855 725 822 589 -235 -443 -351 -588 48 304 -339 -700 -557 -415 -119 106 -59 -170 -176 -98 32 346 554 472 358 -187 -355 -110 -139 -62 272 279 662 1030 781 423 229 -11 106 188 109 -114 13 189 -305 -186 -189 -284 -126 -318 -254 -164 -124 77 -24 -108 -209 -152 -125 -137 -71 -199 -347 -306 -278 -182 -79 32 25 181 220 216 73 -16 -55 -153 88 139 277 70 211 150 -208 -176 -93 -268 -292 -276 -448 -521 -457 -323 -374 -217 -181 -221 -229 -125 195 232 361 495 449 453 505 533 361 505 616 828 859 859 572 35 8 15 224 591 429 -3 -84 -181 -180 -85 -20 25 81 378 -28 -278 -794 -1292 -1297 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