File name: Pandora75s1_EssexMD_20240606_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240607T051232.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240606_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20240606 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240606T103527.0Z 8923.441285 69 1 52.37 2 81.15 67.80 78.22 65.35 0.00 1 0.00 1 0 25 6.159e-01 2.680e-02 2.937e-01 8.914e-03 7.914638e-01 5.752970e-03 8.949282e-03 -6.000000e+00 3.990929e-01 232.44 -2.00 3.48 -2.00 321.71 0.00e+00 4.948491e-03 3.331241e-03 3.461868e-03 -6.000000e+00 2.551745e-02 286.83 -2.00 20.00 -2.00 321.21 0.00e+00 6.144 0.004 302.00 328.00 3 2.7748e+00 2.2511e-02 7.6432e-02 -6.0000e+00 1.0061e+00 4.1107e-01 3.2919e-02 4.7110e-02 -6.0000e+00 1.0941e+00 -6.4158e-01 3.2780e-02 2.8940e-02 -6.0000e+00 6.4335e-01 2.7375e-01 1.4798e-02 1.2391e-02 -6.0000e+00 2.7526e-01 3.1337e-05 -1.2775e-03 2.8637e-04 2.1430e-04 -6.0000e+00 2.0555e-02 -3.7540e-02 2.1498e-04 12 9 8 11 32 0 98.27 23.47 1.29 -0.03754 -0.04714 17 3 1 5 0 3080.020 26.21 20.00 23.47 30.95 4.2 1037.81 900000 900000 900000 900000 -170034 900000 900000 -167797 -225672 900000 -223710 900000 900000 -66985 -51170 900000 900000 -156852 900000 900000 900000 900000 900000 -2793 9384 900000 900000 900000 900000 -100009 161704 -36332 85527 102050 900000 900000 -52570 291424 114946 -23162 11041 111228 14478 44742 71869 93213 24803 11285 63007 32896 18575 18358 179699 80061 36690 26372 24232 10774 29664 10746 -10151 10038 -1129 5532 4313 260 5154 2384 31999 44713 -4348 606 4276 -828 7451 18249 -4924 -5115 4451 -1306 8112 -19533 3309 3509 611 -2712 1929 2062 508 6223 -7921 -1351 3187 -8930 -4634 5303 -2191 1527 1683 1602 -2092 -4863 3119 5 -1155 -793 -136 -1805 -1189 2148 15 -876 -1832 -1813 -1443 233 1225 -30 -1054 2503 -496 2709 5293 -468 559 -259 -1116 2644 -1891 407 242 -1274 327 -586 -943 477 995 2626 -360 -92 -732 -2378 900000 900000 900000 900000 -2006 900000 900000 -1979 -5147 900000 -5630 900000 900000 -632 -523 900000 900000 -7154 900000 900000 900000 900000 900000 -33 103 900000 900000 900000 900000 -3618 1399 -1000 807 883 900000 900000 -2232 2521 1392 -1322 506 2021 726 1703 2114 2258 1223 664 2344 1793 1302 1445 3109 4086 3079 2555 2453 1240 2746 1181 -1414 1250 -179 924 780 49 945 472 5204 7272 -1271 176 1184 -227 1715 3410 -1099 -1181 1059 -392 2617 -9564 1428 1624 311 -1518 1080 1183 295 3300 -4557 -691 1536 -5129 -2890 3509 -1833 1285 1538 1477 -1893 -4127 2482 4 -1005 -730 -121 -1773 -1292 2554 21 -1281 -2753 -2674 -2044 317 1670 -43 -1614 3798 -765 3896 7143 -644 734 -333 -1442 3507 -2968 708 429 -2477 667 -1289 -2221 1161 2464 6465 -901 -219 -1645 -5120 SS 20240606T104851.2Z 8923.450592 74 1 51.55 2 78.73 69.76 75.92 67.12 0.00 1 0.00 1 0 17 4.463e-01 1.693e-02 3.297e-01 1.165e-02 6.547237e-01 7.063066e-03 7.676332e-03 -6.000000e+00 2.791100e-01 232.44 -2.00 3.48 -2.00 321.47 0.00e+00 5.804242e-03 3.605972e-03 3.215691e-03 -6.000000e+00 1.315743e-02 286.84 -2.00 20.00 -2.00 320.91 0.00e+00 4.941 0.002 302.00 328.00 3 3.3008e+00 2.5230e-02 6.2142e-02 -6.0000e+00 6.9927e-01 2.5632e-01 3.4443e-02 3.9150e-02 -6.0000e+00 7.5232e-01 -3.9707e-01 3.2193e-02 2.2592e-02 -6.0000e+00 4.4603e-01 1.6355e-01 1.5025e-02 8.3553e-03 -6.0000e+00 1.9160e-01 6.7200e-05 -2.1624e-03 3.8090e-04 1.4505e-04 -6.0000e+00 1.4098e-02 -3.6154e-02 1.6353e-04 12 9 8 11 16 0 86.84 23.47 0.99 -0.03615 -0.05240 21 3 1 5 0 2454.540 26.21 20.00 23.47 32.02 4.2 1045.21 900000 22939 900000 -98959 900000 -121171 900000 -94441 -205436 -158370 -5472 900000 -173948 208393 -73480 900000 -41621 -21821 -72349 105721 -49825 30104 900000 3901 -19969 -2980 -70916 -24877 51266 -62996 2939 73667 -7081 -21853 -42950 38704 -17432 13551 7903 140853 12597 20093 53314 42198 3986 31798 20156 21652 31707 5275 17867 1955 14400 6642 18604 14410 9279 8240 -5671 4970 9497 4989 9040 4937 1030 7996 3021 -2740 4059 4095 9704 6852 6545 -6610 4287 -2975 -333 -6051 -2586 -6518 -756 97 -4414 -711 -1636 928 -160 -352 664 514 4741 -3340 -379 -2715 526 -4417 426 -1148 1420 -38 -2093 -1251 -3940 566 353 -2104 -929 274 1047 -299 322 357 -390 -1330 93 1748 107 -468 -153 589 767 1396 1452 1147 840 -399 -1078 2197 -462 -979 -252 -664 -177 262 336 535 38 457 407 -431 -1046 -497 900000 260 900000 -1122 900000 -1374 900000 -1071 -6408 -3293 -62 900000 -5919 2364 -1459 900000 -826 -428 -2537 1199 -1490 404 900000 72 -494 -65 -3071 -667 634 -2598 73 1063 -263 -1014 -2436 958 -809 531 391 2179 792 1264 2529 2306 325 2000 1455 1585 2191 506 1658 236 1678 904 2379 1991 1378 1232 -953 743 1400 839 1641 1039 262 1886 744 -736 1109 1263 3115 2370 2257 -2467 1318 -891 -91 -1771 -810 -2484 -317 46 -2408 -400 -993 584 -107 -242 453 339 2818 -2023 -216 -1632 340 -3452 368 -1144 1490 -41 -2165 -1177 -3539 486 321 -2079 -964 303 1259 -405 477 557 -616 -2058 135 2421 152 -697 -239 946 1226 2154 2162 1650 1164 -540 -1450 3001 -719 -1710 -479 -1354 -379 595 808 1348 98 1198 1058 -1086 -2508 -1126 SS 20240606T105524.3Z 8923.455142 77 1 51.56 2 77.54 70.71 74.78 67.98 0.00 1 0.00 1 0 17 3.991e-01 1.277e-02 2.319e-01 6.852e-03 6.046670e-01 3.957777e-03 7.619546e-03 -6.000000e+00 2.469010e-01 232.44 -2.00 3.48 -2.00 321.19 0.00e+00 9.948170e-03 1.859058e-03 4.363176e-03 -6.000000e+00 1.080194e-02 286.84 -2.00 20.00 -2.00 320.60 0.00e+00 4.503 0.002 302.00 328.00 3 3.0997e+00 1.3441e-02 5.7592e-02 -6.0000e+00 6.1913e-01 1.9785e-01 1.7682e-02 3.7184e-02 -6.0000e+00 6.6501e-01 -2.6732e-01 1.6269e-02 2.4411e-02 -6.0000e+00 3.9581e-01 9.4027e-02 7.8173e-03 1.1117e-02 -6.0000e+00 1.6837e-01 1.2997e-04 -1.2718e-03 2.1743e-04 1.9169e-04 -6.0000e+00 1.2303e-02 -3.7403e-02 1.9718e-04 12 9 8 11 24 0 97.41 23.46 0.57 -0.03740 -0.04696 35 6 1 5 0 1472.960 26.21 20.00 23.46 32.29 4.1 1046.21 -80023 -88043 135549 -51130 -131200 -136955 -132594 -162218 -119794 -149507 -101937 -176816 -36796 -45647 32204 6562 -65561 3254 -27879 -39729 -26992 -18151 1036 -6473 -10481 36591 -6091 -42731 -33689 10836 26517 -24347 705 -12047 -17892 -23538 -15656 12534 5462 18382 9395 1888 -3755 22327 2255 12774 -3355 3653 3240 10344 9714 6815 9323 4406 7606 4135 2990 3511 7252 -1731 6012 4962 5272 9312 3164 2158 -3168 378 2030 2317 7427 3356 3447 2799 -83 -5938 -3314 -1349 -4835 -3966 644 499 -1728 34 -2008 -228 1313 60 789 826 -493 -1021 -1686 -1851 -1854 -1161 338 -49 -359 -1691 -793 -1066 -1557 -516 -1259 -2120 -572 388 260 591 -122 900 -41 -191 -273 37 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