File name: Pandora21s1_Bremen_20240809_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20240830T174701.3Z 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_20240809_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: 20240809 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 20240809T122429.6Z 8987.517009 359 1 51.21 2 38.96 201.06 67.96 137.74 0.00 1 0.00 1 0 17 1.777e-02 9.352e-03 1.014e-02 4.367e-03 1.997634e-01 2.282987e-03 2.623274e-03 -6.000000e+00 1.064911e-02 232.81 -2.00 3.88 -2.00 316.75 0.00e+00 2.582839e-04 2.568270e-04 3.806681e-05 -6.000000e+00 4.251438e-04 282.76 -2.00 20.00 -2.00 316.39 0.00e+00 1.285 0.000 302.00 328.00 3 6.7308e+00 6.0350e-03 1.7376e-02 -6.0000e+00 2.6951e-02 6.2609e-02 6.7294e-03 1.1476e-02 -6.0000e+00 2.9311e-02 1.5674e-03 3.9156e-03 5.5916e-03 -6.0000e+00 1.7164e-02 -2.9519e-03 1.7919e-03 1.5349e-03 -6.0000e+00 6.9314e-03 1.3840e-04 -5.9935e-04 1.3698e-04 1.9872e-05 -6.0000e+00 5.3530e-04 -1.0940e-03 0.0000e+00 12 9 8 11 8 0 99.71 23.23 0.56 -0.00109 -0.00560 15 3 1 5 0 3413.526 26.21 20.00 23.23 26.49 36.2 1005.75 5716 -5108 2018 -6862 -2481 108 -6971 2851 -4374 3431 -5897 509 -3589 2089 944 610 4024 1048 641 -139 1524 -2642 3888 -3277 976 -1473 1634 1515 291 -745 425 1274 -1060 931 -2254 -350 -1055 -994 -980 -70 -1329 884 559 -1192 410 -1339 -485 -1094 315 2172 -168 938 256 1454 104 1215 -404 237 372 862 1558 1354 2453 735 249 -1939 -1504 -294 698 1133 690 446 385 11 -886 -324 -3140 -1602 -2299 -1454 -1427 -1768 -295 -699 -142 48 1899 566 363 651 382 -606 -625 -574 -478 639 297 -249 441 186 -951 -556 -1211 -1992 -1643 -1377 151 328 1037 1058 1306 983 100 -328 -742 -737 -1441 -557 -231 458 617 1015 740 529 255 -852 324 -278 830 -166 474 -182 -483 243 15 507 339 434 161 350 -892 -1007 -560 917 -951 342 -1167 -373 16 -1177 484 -853 629 -1185 101 -823 508 255 174 1145 316 200 -45 484 -877 1249 -1180 350 -545 567 494 92 -238 141 445 -393 331 -796 -125 -427 -471 -538 -42 -857 575 370 -802 271 -887 -310 -684 192 1322 -110 639 183 1061 78 920 -312 180 280 655 1231 1142 2161 668 218 -1604 -1175 -230 587 1037 671 443 377 10 -776 -257 -2371 -1180 -1816 -1257 -1349 -1794 -310 -775 -166 59 2398 733 464 792 431 -636 -615 -565 -499 717 363 -326 584 241 -1165 -642 -1394 -2421 -2112 -1845 207 466 1526 1623 2044 1523 148 -458 -972 -931 -1850 -743 -325 671 914 1479 1052 724 335 -1080 394 -346 1073 -227 663 -260 -705 366 24 825 565 732 271 578 -1450 -1596 -881 SS 20240809T133719.1Z 8987.567582 399 1 54.82 2 45.02 225.81 62.40 156.34 0.00 1 0.00 1 0 25 6.762e-03 4.737e-03 7.220e-04 3.073e-04 1.960369e-01 1.608209e-04 2.600054e-03 -6.000000e+00 4.052342e-03 232.81 -2.00 3.88 -2.00 316.85 0.00e+00 2.997687e-05 1.835698e-05 3.681398e-05 -6.000000e+00 1.618235e-04 282.76 -2.00 20.00 -2.00 316.49 0.00e+00 1.413 0.000 302.00 328.00 3 1.7050e+00 4.2501e-04 1.8195e-02 -6.0000e+00 1.0256e-02 4.9691e-03 4.7385e-04 1.1343e-02 -6.0000e+00 1.1155e-02 6.2610e-03 2.7582e-04 5.5283e-03 -6.0000e+00 6.5319e-03 -5.3205e-03 1.2655e-04 1.5192e-03 -6.0000e+00 2.6372e-03 1.9279e-02 -5.3769e-04 9.6879e-06 1.9555e-05 -6.0000e+00 2.0375e-04 4.6682e-04 0.0000e+00 10 0 0 10 0 0 100.00 23.23 0.20 0.00047 -0.00357 3507 688 1 5 0 14.282 26.21 19.99 23.23 29.14 36.2 1019.10 -2392 -1391 -152 994 916 -759 -911 -808 -431 448 549 -764 -1724 -1320 -1262 -358 -130 232 109 364 906 961 233 7 156 -116 525 1058 1537 935 1033 777 -365 -370 -256 -899 -949 -713 -1048 -1033 -778 -746 -725 -549 -504 -523 -537 -256 399 551 632 767 816 610 861 847 688 845 1012 1217 1239 1189 709 16 -50 -84 125 644 459 -34 -96 -218 -200 -277 -112 -155 -56 384 -147 -412 -917 -1361 -1173 -901 -738 -444 -268 -100 -234 44 81 311 787 954 732 846 635 -113 -415 -337 -629 -84 264 -340 -511 -457 -361 -40 95 83 -49 -164 -50 32 336 514 417 384 -82 -401 -167 -211 -111 206 274 645 1045 817 549 380 23 76 183 37 -138 -61 124 -306 -188 -176 -264 -198 -250 -416 -250 -26 155 132 -110 -144 -142 -81 84 103 -153 -387 -331 -347 -103 -38 70 34 116 288 307 78 3 57 -42 183 344 472 290 337 270 -133 -131 -87 -320 -382 -338 -582 -599 -479 -473 -466 -352 -321 -328 -327 -161 244 344 416 499 556 431 620 620 506 614 728 887 948 977 620 14 -43 -66 98 512 375 -31 -93 -214 -194 -255 -95 -126 -42 282 -116 -365 -844 -1358 -1233 -1000 -876 -559 -331 -125 -289 54 92 320 753 911 748 948 783 -151 -535 -445 -777 -96 300 -412 -664 -625 -484 -56 139 128 -78 -255 -73 43 446 654 538 522 -113 -584 -246 -308 -156 294 370 825 1288 1029 733 537 33 114 263 56 -218 -102 211 -529 -325 -298 -431 -314 -395 SS 20240809T134224.9Z 8987.571122 403 1 21.43 2 45.58 227.34 62.12 157.71 0.00 1 0.00 1 0 17 7.794e-03 5.156e-03 3.550e-03 1.701e-03 2.005467e-01 8.938324e-04 2.669872e-03 -6.000000e+00 4.670796e-03 232.81 -2.00 3.88 -2.00 316.36 0.00e+00 -4.364763e-06 9.011871e-05 3.411899e-05 -6.000000e+00 1.865217e-04 282.76 -2.00 20.00 -2.00 316.01 0.00e+00 1.427 0.000 302.00 328.00 3 4.7113e+00 2.3537e-03 1.8478e-02 -6.0000e+00 1.1821e-02 2.0104e-02 2.6203e-03 1.1610e-02 -6.0000e+00 1.2857e-02 5.9364e-03 1.5102e-03 5.6555e-03 -6.0000e+00 7.5287e-03 -4.7973e-03 6.7884e-04 1.5484e-03 -6.0000e+00 3.0396e-03 9.2648e-04 -5.1166e-04 5.3104e-05 2.0719e-05 -6.0000e+00 2.3484e-04 5.0763e-04 0.0000e+00 12 1 1 12 1 1 99.99 23.23 0.22 0.00051 -0.00334 37 17 1 5 0 563.610 26.21 20.00 23.23 29.54 36.6 1022.51 -1801 -291 -1368 2016 -1345 960 -1646 -133 -1322 1274 868 -1671 -1276 -2344 -673 -1603 795 -229 168 418 781 602 545 328 87 819 -102 1049 1413 1714 2164 1125 -335 -460 13 -1482 -856 -1331 -547 -1382 -628 -268 -604 -295 -405 -350 -1025 -155 271 546 448 1082 259 643 769 501 650 376 1125 854 1456 1091 594 -66 268 108 70 280 313 -72 -156 -151 -373 -228 -97 -288 20 197 -133 -810 -796 -1210 -1068 -1008 -612 -335 -446 128 -323 112 52 352 567 1018 839 942 791 -74 -337 -482 -444 -364 459 -610 -531 -432 -429 -11 72 389 -269 -62 -233 -22 279 598 200 405 -150 -459 10 -357 -22 -28 531 608 1270 659 386 461 147 379 99 -18 -195 -1 209 -309 -163 -186 -271 -441 -253 -352 -58 -271 359 -229 160 -304 -27 -287 274 188 -389 -326 -672 -207 -523 261 -78 59 149 279 217 202 128 35 331 -40 387 498 605 798 443 -138 -186 5 -605 -387 -695 -324 -900 -427 -187 -427 -208 -285 -244 -700 -103 177 362 311 781 196 498 605 401 521 300 887 683 1206 957 547 -62 242 92 57 230 276 -69 -156 -153 -374 -220 -88 -242 16 154 -110 -731 -773 -1249 -1147 -1128 -717 -409 -564 163 -407 136 59 374 573 1026 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