File name: Pandora55s1_QueensNY_20230922_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230924T233158.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230922_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230922 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20230922T113727.0Z 8665.484340 62 1 45.78 2 80.48 97.89 161.23 53.05 0.00 1 0.00 1 0 25 4.632e-01 2.436e-02 1.604e-01 4.363e-03 6.748564e-01 2.485889e-03 7.774985e-03 -6.000000e+00 2.851937e-01 228.49 -2.00 3.51 -2.00 321.05 0.00e+00 5.268275e-03 1.195542e-03 2.078762e-03 -6.000000e+00 1.368360e-02 287.14 -2.00 20.00 -2.00 320.44 0.00e+00 5.759 0.003 302.00 328.00 3 1.8296e+00 8.4205e-03 6.7748e-02 -6.0000e+00 7.1263e-01 2.4391e-01 1.1267e-02 3.6893e-02 -6.0000e+00 7.7713e-01 -3.2836e-01 1.0205e-02 2.0824e-02 -6.0000e+00 4.5640e-01 1.3352e-01 4.8321e-03 8.1270e-03 -6.0000e+00 1.8976e-01 1.3738e-04 -4.7955e-04 1.3176e-04 1.1499e-04 -6.0000e+00 1.4518e-02 1.3477e-02 0.0000e+00 12 9 9 12 5 5 94.04 19.19 0.28 0.01348 0.00987 33 7 1 5 0 1346.050 26.00 19.96 19.19 21.88 35.7 1025.70 -200382 900000 -173148 33522 900000 -101612 900000 900000 -75321 -174937 -66715 -128615 -209597 900000 -32715 -59544 161043 900000 900000 900000 61257 79305 -73177 16106 -38431 900000 -13284 -28209 -51152 -5595 109853 4471 -29069 477 900000 -13996 -11154 47479 75051 2249 42645 -96 19275 16277 49303 1441 44060 31552 38664 13638 8312 -753 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858 1419 -13 -1162 -1755 -2035 -785 1774 507 -2901 788 -1406 -1350 343 2126 2837 630 -393 -2615 485 2370 3689 685 1033 380 2231 1254 8 1952 2151 2622 109 1042 -1179 335 269 -165 -2297 -1699 -2014 186 -1263 SS 20230922T114627.4Z 8665.490595 67 1 50.40 2 78.80 99.40 159.91 57.09 0.00 1 0.00 1 0 25 3.385e-01 1.148e-02 6.096e-02 2.148e-03 6.005869e-01 1.169094e-03 6.846893e-03 -6.000000e+00 2.043412e-01 228.49 -2.00 3.51 -2.00 320.47 0.00e+00 3.386142e-03 4.688192e-04 3.848660e-04 -6.000000e+00 9.223523e-03 287.14 -2.00 20.00 -2.00 319.79 0.00e+00 4.967 0.002 302.00 328.00 3 1.5378e+00 3.6427e-03 5.8737e-02 -6.0000e+00 5.0857e-01 6.5729e-02 4.6597e-03 3.2331e-02 -6.0000e+00 5.5148e-01 -6.4623e-02 4.2035e-03 1.6416e-02 -6.0000e+00 3.2785e-01 1.8681e-02 2.0828e-03 6.8438e-03 -6.0000e+00 1.3840e-01 4.2944e-04 -1.8823e-04 6.4030e-05 7.0539e-05 -6.0000e+00 1.0352e-02 1.3577e-02 0.0000e+00 12 9 9 12 4 4 97.00 19.18 0.18 0.01358 0.01216 84 16 1 5 0 599.860 26.00 20.02 19.18 22.37 35.9 1028.44 -137164 900000 -160318 -49897 -80289 -96185 900000 -27340 -90257 -112812 -104999 -77176 -133463 73885 -21490 -54495 900000 86864 54097 32501 13320 -4972 -33315 -14854 -20103 84268 -14878 -6997 -33558 949 10428 2365 -18264 1395 28573 -7283 -6753 8441 11118 -4057 5201 -7697 3281 -356 12608 -2612 9425 7359 9893 2450 490 -1412 9553 7903 2737 6463 -94 4261 -120 1467 5648 1942 -1179 2678 -2754 3584 -284 1837 2167 -1014 1103 977 -1113 1804 -461 505 2543 1038 -1776 -1844 290 -1117 -1350 -2152 -903 -1614 -1357 -1647 -717 -390 279 368 1748 313 875 -4 241 -190 -457 -563 -692 530 1509 155 -1003 -364 -1031 -137 668 139 -842 191 -208 -109 394 1028 1229 277 -344 -1070 -340 88 645 -45 -86 226 1147 848 -125 741 124 662 160 318 -498 175 63 -349 -728 -306 -217 -42 229 -2270 900000 -3712 -397 -822 -1184 900000 -221 -1436 -2356 -2235 -1510 -5450 553 -470 -1852 900000 967 873 670 334 -152 -1394 -568 -858 1427 -626 -272 -1713 39 462 131 -1348 88 1395 -511 -533 689 1054 -506 658 -1163 467 -54 1729 -419 1393 1146 1582 449 101 -323 2151 1936 736 1748 -27 1188 -34 416 1620 630 -436 1036 -1153 1398 -114 751 971 -518 594 541 -621 938 -228 229 1084 460 -886 -1050 183 -786 -1016 -1722 -752 -1420 -1237 -1535 -661 -349 237 297 1361 254 765 -4 261 -225 -571 -706 -832 590 1593 167 -1133 -429 -1270 -176 907 204 -1318 307 -336 -172 598 1511 1810 423 -547 -1755 -556 141 1009 -68 -129 330 1628 1235 -195 1241 221 1226 306 631 -1033 374 137 -770 -1614 -667 -459 -85 458 SS 20230922T115230.0Z 8665.494792 70 1 50.50 2 77.67 100.43 158.99 59.56 0.00 1 0.00 1 0 25 2.170e-01 7.834e-03 5.524e-02 1.494e-03 5.610122e-01 7.994610e-04 6.446194e-03 -6.000000e+00 1.292314e-01 228.49 -2.00 3.51 -2.00 320.10 0.00e+00 2.523315e-03 2.843492e-04 5.771092e-04 -6.000000e+00 5.896222e-03 287.14 -2.00 20.00 -2.00 319.40 0.00e+00 4.547 0.002 302.00 328.00 3 1.3173e+00 2.3944e-03 5.4133e-02 -6.0000e+00 3.2084e-01 4.0702e-02 2.9640e-03 3.0307e-02 -6.0000e+00 3.4723e-01 -2.0173e-02 2.5664e-03 1.4824e-02 -6.0000e+00 2.0746e-01 -2.4138e-03 1.3026e-03 5.7995e-03 -6.0000e+00 8.8400e-02 8.3066e-04 -4.6147e-05 4.4415e-05 5.8117e-05 -6.0000e+00 6.5209e-03 1.3556e-02 0.0000e+00 12 9 1 12 4 4 97.38 19.20 0.19 0.01356 0.01321 136 26 1 5 0 371.240 26.00 20.02 19.20 22.62 35.8 1029.64 -90070 900000 -99670 -9602 -67699 -59274 108047 -39354 -47944 -79599 -43130 -51646 -77957 22565 -11340 -30028 1763 23438 12526 5160 -686 8373 -23538 -3493 -9325 25923 -12373 -9075 -18887 -3683 2354 -399 -9730 63 14658 -6601 -5503 702 1321 -3984 957 -4032 -1392 -622 3102 -1902 2740 1273 3769 2524 642 53 4933 3264 1731 1999 99 2007 817 1195 2948 2280 139 1242 -1350 2002 272 1512 1547 -446 43 200 -1195 31 -835 848 1614 1308 -470 -723 18 -1482 -1374 -1531 -1060 -1442 -609 -537 -258 44 455 530 1525 1308 1103 283 448 -436 -462 -390 -394 214 1145 56 -932 -563 -1015 -166 258 66 -662 -76 -23 -121 580 811 1132 480 -186 -937 -583 -227 -44 -58 54 370 1271 767 165 563 179 357 291 204 -377 -87 136 -405 -625 -164 -114 -38 240 -1386 900000 -1881 -75 -879 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