File name: Pandora21s1_Bremen_20231006_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240905T020418.7Z 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_20231006_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: 20231006 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 20231006T104546.3Z 8679.448453 405 1 49.84 2 58.47 172.05 64.15 282.00 0.00 1 0.00 1 0 17 9.543e-03 5.151e-03 6.697e-03 2.353e-03 2.141022e-01 1.217539e-03 2.913853e-03 -6.000000e+00 5.661249e-03 225.60 -2.00 3.88 -2.00 317.21 0.00e+00 2.253047e-04 1.552361e-04 4.676023e-05 -6.000000e+00 2.287658e-04 276.63 -2.00 20.00 -2.00 316.90 0.00e+00 1.905 0.000 302.00 328.00 3 4.9572e+00 3.1849e-03 2.2407e-02 -6.0000e+00 1.4094e-02 3.6016e-02 3.5526e-03 1.2162e-02 -6.0000e+00 1.5318e-02 3.9815e-03 2.1418e-03 6.0708e-03 -6.0000e+00 9.0195e-03 -5.3500e-03 1.0430e-03 1.7668e-03 -6.0000e+00 3.7784e-03 4.4543e-04 -3.8836e-04 7.4392e-05 2.3038e-05 -6.0000e+00 2.8609e-04 -1.1718e-02 0.0000e+00 10 0 0 10 0 0 99.95 22.76 0.11 -0.01172 -0.01464 74 15 1 5 0 673.389 25.79 20.00 22.76 20.98 34.2 1021.64 -1695 -3270 -1847 -3278 596 -2544 2368 1023 424 628 -2549 1699 942 2020 -1159 -417 -160 -1349 825 646 1756 -1040 2119 109 539 -1624 -38 -848 -599 974 1226 1804 -78 -32 -2639 438 -712 365 114 -1199 -549 -816 -344 -1126 -284 -908 -613 -834 -173 904 356 902 359 696 181 1098 985 786 529 655 1157 1346 1590 691 476 -656 285 -358 882 394 6 -248 79 -3 -709 -339 -215 344 399 -46 -597 -1343 -1592 -1257 -747 -791 112 -264 -89 -130 200 291 436 901 578 664 364 806 -272 -335 -314 -160 196 342 -467 -735 -687 -664 60 253 263 -135 240 -182 -279 500 164 517 114 -34 -787 -87 -10 51 326 313 781 869 499 136 456 -41 55 232 53 29 42 112 -240 -171 -193 -357 -335 -216 -462 -264 -455 73 -304 277 133 61 95 -402 261 157 373 -247 -96 -39 -341 211 171 469 -286 572 31 161 -513 -12 -256 -170 263 337 523 -25 -10 -852 134 -231 133 49 -599 -300 -471 -204 -682 -171 -547 -364 -483 -97 501 204 541 228 461 124 764 697 559 374 459 821 1003 1262 584 409 -544 218 -264 658 322 6 -234 75 -3 -640 -282 -163 243 282 -35 -505 -1250 -1589 -1313 -817 -920 137 -335 -114 -164 239 323 447 871 565 691 414 992 -359 -449 -409 -195 227 393 -569 -949 -926 -929 87 381 413 -218 380 -277 -397 665 212 677 157 -50 -1203 -133 -15 75 461 425 1012 1099 648 186 653 -61 83 357 84 49 73 197 -430 -305 -338 -610 -558 SS 20231006T105055.8Z 8679.452035 408 1 49.59 2 58.38 173.55 64.89 282.91 0.00 1 0.00 1 0 17 1.134e-02 5.427e-03 6.858e-03 2.534e-03 2.157446e-01 1.313609e-03 2.922307e-03 -6.000000e+00 6.728679e-03 225.60 -2.00 3.88 -2.00 317.06 0.00e+00 3.633880e-04 1.617550e-04 4.576336e-05 -6.000000e+00 2.718872e-04 276.63 -2.00 20.00 -2.00 316.75 0.00e+00 1.900 0.000 302.00 328.00 3 5.2597e+00 3.4307e-03 2.2396e-02 -6.0000e+00 1.6751e-02 5.3015e-02 3.8260e-03 1.2207e-02 -6.0000e+00 1.8205e-02 -5.2436e-03 2.2898e-03 6.0881e-03 -6.0000e+00 1.0720e-02 -2.3359e-03 1.1062e-03 1.7691e-03 -6.0000e+00 4.4912e-03 3.2832e-04 -3.7344e-04 7.9745e-05 2.2960e-05 -6.0000e+00 3.4000e-04 -1.2501e-02 0.0000e+00 10 0 0 10 0 0 99.99 22.75 0.22 -0.01250 -0.01531 27 5 1 5 0 1836.407 25.79 20.00 22.75 21.28 34.2 1023.19 -2176 575 -4671 -4847 -5278 -1659 822 1661 -302 -850 380 -2680 -486 1021 -98 -1296 -1184 942 811 2446 1418 -346 629 1281 -1198 1237 -142 -1509 -1174 184 2081 2270 1883 -2218 507 -561 -916 256 -655 -725 -649 -849 -997 -376 -308 -672 -696 -392 -1024 681 567 130 1240 933 1359 1042 847 11 814 1260 1853 1058 804 1042 287 248 -283 237 359 337 174 -336 251 -497 -43 -573 -181 -323 -402 -697 -1102 -1413 -1417 -1162 -1421 -644 41 91 -14 -42 300 110 514 225 813 294 979 345 69 -309 -239 -431 -293 213 -881 -341 -567 -79 -152 91 410 -306 -207 217 -45 69 587 24 605 -211 -322 70 -64 108 643 331 319 1132 469 263 290 -70 87 -6 190 37 241 -42 -98 -322 -152 -590 -354 -295 83 -725 -721 -722 -207 102 225 -46 -137 61 -450 -86 200 -22 -318 -304 245 218 667 399 -99 180 379 -380 397 -46 -479 -350 52 592 684 606 -765 166 -180 -309 97 -292 -373 -367 -506 -613 -233 -191 -417 -426 -233 -600 390 333 81 804 633 947 743 614 8 587 899 1336 807 655 894 251 208 -222 177 274 280 158 -322 243 -475 -39 -485 -139 -234 -291 -543 -950 -1332 -1426 -1224 -1576 -752 50 115 -18 -53 360 123 530 221 800 309 1112 427 90 -415 -310 -529 -341 246 -1076 -438 -761 -110 -219 136 639 -490 -326 327 -63 92 756 32 828 -307 -487 106 -95 157 902 447 414 1426 607 358 413 -103 130 -9 300 60 411 -73 -173 -567 -263 -994 -582 SS 20231006T110401.6Z 8679.461130 417 1 20.03 2 58.23 177.38 66.75 285.21 0.00 1 0.00 1 0 25 7.707e-03 5.498e-03 1.759e-03 8.495e-04 2.092225e-01 4.431294e-04 2.865477e-03 -6.000000e+00 4.572154e-03 225.60 -2.00 3.88 -2.00 316.21 0.00e+00 1.098383e-04 4.514986e-05 3.473909e-05 -6.000000e+00 1.847592e-04 276.63 -2.00 20.00 -2.00 315.92 0.00e+00 1.892 0.000 302.00 328.00 3 2.9654e+00 1.1465e-03 2.2133e-02 -6.0000e+00 1.1382e-02 1.1751e-02 1.2750e-03 1.1871e-02 -6.0000e+00 1.2371e-02 -7.9405e-04 7.4306e-04 5.9080e-03 -6.0000e+00 7.2844e-03 -1.4559e-03 3.4485e-04 1.7063e-03 -6.0000e+00 3.0515e-03 3.3803e-03 -4.5810e-04 2.6247e-05 2.2954e-05 -6.0000e+00 2.3106e-04 -1.1620e-02 0.0000e+00 12 1 1 12 1 1 99.96 22.75 0.19 -0.01162 -0.01506 81 40 1 5 0 244.141 25.79 20.00 22.75 21.98 34.0 1026.51 -1882 -1494 -2981 -2881 -1378 -1235 496 -726 426 -1572 -393 39 481 -214 489 -62 -244 806 209 916 298 1221 1004 1033 464 86 -242 -553 528 565 1374 1092 1313 -859 -1018 -492 -609 199 -127 -398 -1071 -829 -921 -853 -676 -702 -519 -654 -226 283 931 603 795 645 715 484 621 606 673 879 1199 1316 1094 590 -307 -84 -123 294 846 535 -95 -292 -290 -438 -180 -33 89 217 411 -199 -597 -1102 -1530 -1185 -1107 -800 -534 -292 -287 -303 201 171 785 953 1112 762 847 572 -277 -534 -479 -527 153 259 -343 -558 -616 -385 -77 -2 64 -221 -86 -85 233 532 656 471 373 -350 -464 -195 -299 103 223 365 644 1193 779 571 337 174 272 271 58 -268 -47 -8 -408 -248 -329 -396 -300 -359 -310 -641 -590 -253 -212 86 -140 90 -356 -89 9 117 -59 139 -19 -80 270 73 325 109 441 367 392 186 36 -101 -222 196 202 495 418 534 -368 -424 -198 -257 95 -67 -246 -691 -565 -648 -608 -480 -496 -360 -442 -148 194 612 421 586 499 572 397 517 505 554 716 992 1080 968 556 -296 -77 -104 250 730 480 -89 -291 -294 -436 -179 -30 78 176 331 -174 -551 -1066 -1605 -1309 -1227 -947 -636 -362 -360 -374 245 191 840 956 1124 830 962 717 -357 -703 -607 -654 178 298 -421 -698 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