File name: Pandora253s1_TucsonAZ_20240614_L2Fit_fout2c1d20230118p1-8.txt File generation date: 20240619T000519.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Manish Naja Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 253 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora253_OF_v2d20221208.txt Instrument calibration file used: Pandora253s1_CF_v1d20230118.txt Level 1 file used: Pandora253s1_TucsonAZ_20240614_L1_smca1c1d20230118p1-8.txt Full location name: University of Arizona Department of Chemical and Environmental Engineering Short location name: TucsonAZ Country of location: United States Location latitude [deg]: 32.2330 Location longitude [deg]: -110.9530 Location altitude [m]: 779 Local noon date: 20240614 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: Full lab calibration+OOB session, absolute calibration done with an uncalibrated lamp, certificate of FEL1441 (GSFC) used First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0464 305.1873 305.3281 305.4689 305.6097 305.7505 305.8913 306.0321 306.1728 306.3136 306.4543 306.5950 306.7358 306.8765 307.0171 307.1578 307.2985 307.4391 307.5798 307.7204 307.8610 308.0016 308.1422 308.2828 308.4234 308.5639 308.7045 308.8450 308.9856 309.1261 309.2666 309.4071 309.5475 309.6880 309.8285 309.9689 310.1093 310.2498 310.3902 310.5306 310.6709 310.8113 310.9517 311.0920 311.2323 311.3727 311.5130 311.6533 311.7936 311.9339 312.0741 312.2144 312.3546 312.4948 312.6351 312.7753 312.9155 313.0556 313.1958 313.3360 313.4761 313.6162 313.7564 313.8965 314.0366 314.1767 314.3167 314.4568 314.5969 314.7369 314.8769 315.0169 315.1569 315.2969 315.4369 315.5769 315.7168 315.8568 315.9967 316.1366 316.2765 316.4164 316.5563 316.6962 316.8360 316.9759 317.1157 317.2556 317.3954 317.5352 317.6750 317.8147 317.9545 318.0942 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0722 319.2118 319.3515 319.4911 319.6307 319.7703 319.9099 320.0495 320.1891 320.3286 320.4682 320.6077 320.7472 320.8868 321.0263 321.1657 321.3052 321.4447 321.5841 321.7236 321.8630 322.0024 322.1418 322.2812 322.4206 322.5600 322.6993 322.8386 322.9780 323.1173 323.2566 323.3959 323.5352 323.6744 323.8137 323.9529 324.0922 324.2314 324.3706 324.5098 324.6490 324.7882 324.9273 --------------------------------------------------------------------------------------- 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 20240614T130037.5Z 8931.542101 71 1 54.97 2 82.48 67.15 144.59 341.58 0.00 1 0.00 1 0 25 5.759e-01 1.794e-02 4.297e-01 1.221e-02 8.405001e-01 7.306655e-03 8.785081e-03 -6.000000e+00 3.386432e-01 231.22 -2.00 3.29 -2.00 322.12 0.00e+00 3.760593e-03 4.471282e-03 1.322200e-03 -6.000000e+00 1.623149e-02 287.44 -2.00 20.00 -2.00 321.64 0.00e+00 7.083 0.005 302.00 328.00 3 1.7613e+00 3.0200e-02 7.9233e-02 -6.0000e+00 8.4997e-01 6.5688e-01 4.3085e-02 4.9779e-02 -6.0000e+00 9.1883e-01 -8.8934e-01 4.0316e-02 2.3953e-02 -6.0000e+00 5.4451e-01 3.5154e-01 1.8120e-02 1.0062e-02 -6.0000e+00 2.3337e-01 5.8246e-05 -1.6422e-03 3.5561e-04 1.2701e-04 -6.0000e+00 1.5998e-02 -3.2812e-02 0.0000e+00 12 8 8 10 0 0 78.63 25.80 0.87 -0.03281 -0.04515 47 4 1 5 0 1169.570 33.25 20.00 25.80 31.94 4.1 1016.55 -168018 -150911 -59167 -146534 -33474 -161404 -144880 32170 -98376 900000 900000 -174627 -191343 10133 -68765 -121761 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3055 4 1608 2097 2631 -127 888 856 1896 1006 2577 2306 2820 1571 2044 486 -343 -49 225 -1093 -82 389 95 820 -2260 164 3067 1256 2373 -2109 -213 251 229 -458 -423 -2073 -3953 -543 -1052 -2584 -915 1647 -1722 -653 -1559 -1662 -1835 -345 -1998 -477 -1344 -108 -1901 791 -856 1340 -287 -341 -2156 2108 828 -355 -481 3895 3250 -819 2072 72 1474 2787 785 -784 1235 -160 102 9 37 958 1830 -600 -1516 -1466 -334 -1895 SS 20240614T131113.2Z 8931.549459 74 1 54.67 2 80.40 68.43 145.23 345.87 0.00 1 0.00 1 0 25 4.933e-01 6.543e-03 2.206e-01 2.931e-03 7.189968e-01 1.653282e-03 7.622241e-03 -6.000000e+00 2.895198e-01 231.22 -2.00 3.29 -2.00 321.49 0.00e+00 4.993986e-03 8.828056e-04 5.392501e-04 -6.000000e+00 1.279862e-02 287.44 -2.00 20.00 -2.00 320.92 0.00e+00 5.719 0.002 302.00 328.00 3 1.3332e+00 6.0169e-03 6.3999e-02 -6.0000e+00 7.2417e-01 1.2147e-01 8.7618e-03 3.8506e-02 -6.0000e+00 7.8142e-01 -1.4282e-01 9.0639e-03 2.1073e-02 -6.0000e+00 4.6563e-01 4.3042e-02 4.2040e-03 1.0002e-02 -6.0000e+00 1.9842e-01 3.4982e-04 -7.9699e-04 8.3691e-05 1.0361e-04 -6.0000e+00 1.3606e-02 -3.3885e-02 0.0000e+00 11 8 0 10 0 0 53.67 25.80 0.61 -0.03389 -0.03987 149 14 1 5 0 366.900 33.25 20.00 25.80 32.38 4.1 1019.89 -141008 -164753 -121805 -34219 -138839 -232318 -182853 -182674 -145631 -139916 -137661 -98160 -118785 -13339 -66445 -62375 -68695 -46505 -35853 -42583 -69458 -34931 -52203 -47761 -3848 -37820 -46345 -37503 -57646 -58823 -25171 -23543 -23062 -7017 -19400 -19521 7679 -8590 -1737 -3064 1043 -1665 2091 2952 3108 -9327 3929 138 -2283 1127 4492 6873 6190 3933 6275 2219 4066 2520 -1760 1390 466 2235 2849 3399 2614 763 3332 2558 1812 2303 2947 1934 1516 243 1237 -2605 -1953 -2291 -1326 -706 344 -1008 -737 -1099 -959 -1005 -100 -318 329 1208 1244 -306 694 539 -472 -558 458 288 -171 -101 -358 -519 -320 158 -939 -1427 -1241 -705 -491 284 -198 43 -59 23 427 884 756 385 156 -511 -553 9 228 381 199 45 130 1376 930 -73 279 -9 -159 18 -188 -77 -295 126 60 -228 -178 17 175 -440 -814 -443 -98 -577 -2355 -1188 -1329 -833 -836 -859 -459 -864 -45 -501 -567 -786 -483 -373 -509 -1137 -409 -746 -707 -40 -649 -901 -665 -1236 -1362 -497 -565 -659 -193 -605 -592 189 -290 -67 -146 55 -100 129 189 203 -712 272 10 -185 95 407 690 697 498 838 324 606 385 -275 206 71 361 521 709 603 181 762 604 467 678 974 689 547 85 395 -778 -532 -620 -388 -243 139 -480 -393 -632 -587 -658 -68 -227 236 839 814 -190 407 319 -310 -425 404 294 -178 -110 -412 -544 -301 143 -899 -1467 -1343 -811 -614 359 -283 67 -94 37 638 1254 1061 562 241 -834 -909 14 346 556 280 67 187 1981 1352 -122 521 -19 -342 41 -459 -200 -728 314 150 -613 -453 41 394 SS 20240614T131914.4Z 8931.555028 79 1 54.84 2 78.82 69.39 145.61 349.19 0.00 1 0.00 1 0 25 2.732e-01 4.978e-03 9.349e-02 1.438e-03 6.382681e-01 7.805284e-04 6.766529e-03 -6.000000e+00 1.603303e-01 231.22 -2.00 3.29 -2.00 320.98 0.00e+00 3.138803e-03 3.570516e-04 4.495999e-04 -6.000000e+00 7.087096e-03 287.44 -2.00 20.00 -2.00 320.35 0.00e+00 4.978 0.002 302.00 328.00 3 1.0319e+00 2.5969e-03 5.5800e-02 -6.0000e+00 4.0103e-01 7.5036e-02 3.5272e-03 3.3065e-02 -6.0000e+00 4.3272e-01 -7.8088e-02 3.4926e-03 1.7102e-02 -6.0000e+00 2.5785e-01 1.7229e-02 1.6872e-03 7.1154e-03 -6.0000e+00 1.0989e-01 9.7761e-04 -7.5551e-04 4.1309e-05 6.8325e-05 -6.0000e+00 7.5337e-03 -3.4472e-02 0.0000e+00 10 0 0 10 0 0 64.61 25.80 0.46 -0.03447 -0.04015 278 26 1 5 0 197.240 33.00 20.00 25.80 32.89 4.1 1024.29 -86113 -5424 -126657 -69689 -108711 -93841 -101945 -83323 -86116 -79413 -57671 -60683 -73312 -32991 -35548 -35074 -2170 -21725 -15352 -31946 -23356 -13041 -32805 -15384 -15401 -18863 -7099 -12082 -16149 -11279 -5010 -8055 -12062 34 -1742 -8752 -6894 -8192 -614 -1375 -2730 -3528 -2767 -259 -386 2582 -27 -1167 -803 1333 2612 1101 2156 2753 2642 1003 1594 -1057 684 -161 1007 1757 3016 2180 2399 1103 1507 955 298 1410 270 917 33 956 200 -320 -701 -1187 -988 -93 -1294 -934 -1464 -1556 -785 -596 -419 250 746 737 758 526 110 303 354 -6 515 454 293 -262 -404 -290 -46 417 -933 -1454 -1005 -825 -236 359 132 -125 -47 202 148 424 509 194 235 -292 -570 -230 241 137 301 55 53 1089 761 107 -5 -184 -105 -16 -54 -303 -110 232 149 -173 -117 -94 11 -340 -12 -1033 -329 -707 -502 -624 -478 -640 -613 -380 -451 -761 -296 -419 -507 -26 -356 -261 -685 -482 -245 -773 -330 -361 -489 -170 -302 -410 -285 -138 -276 -506 1 -74 -384 -316 -443 -38 -104 -242 -344 -285 -27 -41 273 -3 -136 -97 167 355 171 367 509 525 212 348 -240 150 -35 218 407 779 644 767 357 474 306 103 551 120 434 16 440 86 -124 -250 -416 -371 -40 -672 -557 -979 -1115 -540 -439 -325 200 602 582 563 401 80 218 276 -5 483 490 353 -328 -486 -318 -46 397 -951 -1592 -1153 -1006 -309 520 195 -200 -76 320 223 659 779 308 361 -474 -940 -369 370 222 468 82 77 1558 1195 176 -9 -360 -216 -34 -125 -690 -258 554 359 -409 -262 -214 25 SS 20240614T132456.3Z 8931.558985 82 1 54.82 2 77.69 70.06 145.83 351.59 0.00 1 0.00 1 0 25 1.770e-01 4.693e-03 4.381e-02 9.968e-04 5.862894e-01 5.357717e-04 6.337892e-03 -6.000000e+00 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