File name: Pandora55s1_QueensNY_20241213_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241214T045722.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241213_L1_smca1c18d20230426p1-8.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: 20241213 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241213T131741.8Z 9113.553956 262 1 26.86 2 80.68 131.93 112.23 334.50 0.00 1 0.00 1 0 25 6.383e-01 3.372e-02 2.624e-01 8.605e-03 8.177640e-01 4.925059e-03 9.422622e-03 -6.000000e+00 3.807954e-01 222.84 -2.00 3.51 -2.00 321.61 0.00e+00 7.664416e-03 2.520568e-03 5.759743e-03 -6.000000e+00 1.833044e-02 277.36 -2.00 20.00 -2.00 321.14 0.00e+00 5.873 0.004 302.00 328.00 3 2.1699e+00 1.6989e-02 8.0778e-02 -6.0000e+00 9.3845e-01 6.2283e-01 2.2860e-02 6.5911e-02 -6.0000e+00 1.0279e+00 -8.8453e-01 2.1431e-02 2.4928e-02 -6.0000e+00 6.0678e-01 3.7734e-01 1.0076e-02 9.9553e-03 -6.0000e+00 2.5277e-01 7.0144e-05 -4.2333e-03 2.4817e-04 1.0962e-04 -6.0000e+00 2.0019e-02 1.8453e-02 0.0000e+00 12 9 9 12 1 1 100.00 22.25 0.31 0.01845 -0.01336 26 10 1 5 0 994.300 25.90 19.99 22.25 3.53 35.4 937.03 -103931 -92516 900000 -158257 900000 900000 -86489 900000 -132429 12905 -199443 -106660 -164427 -20701 900000 36323 -38198 -127828 900000 900000 14742 95313 900000 -88706 77246 51948 900000 160378 -22459 -59298 11737 301380 37657 111338 41778 900000 18343 45295 192938 900000 63040 96424 8436 31844 77473 187325 11275 89030 107403 121794 33181 50506 83 152079 78023 48316 61725 55601 40164 26712 1992 50908 27726 -29 39278 -5570 41000 5184 14358 14933 11449 12414 20698 -1702 24543 5703 9545 27775 1849 809 -7041 14814 -3557 3103 -5038 1032 -6481 -3493 -5669 -3037 -461 -4465 1777 2037 -1519 -3043 -5282 -5433 -3009 -792 -3045 -429 -2068 3590 706 1738 -3545 -3929 -1493 2364 -348 -3799 -516 -1597 96 -1216 1126 1766 776 -91 -1160 -643 2989 5376 558 1990 -160 3249 744 -794 1640 2276 1821 1331 767 -526 -71 9 390 -1556 387 -1650 -579 -1810 -1835 -1727 900000 -5668 900000 900000 -1269 900000 -3237 108 -9541 -2342 -7368 -311 900000 489 -1180 -9826 900000 900000 335 991 900000 -5052 979 852 900000 1343 -704 -2714 317 2524 1130 1852 1347 900000 707 1481 1833 900000 2656 3241 667 2097 3382 2997 925 3706 3953 4172 2765 3969 11 5599 6051 5111 5919 5650 4595 3334 307 5233 3888 -6 6209 -1399 6743 1194 3208 3688 3246 3744 5923 -581 6145 1547 2278 5405 481 241 -2669 5338 -1708 1531 -2835 579 -4089 -2233 -3765 -1956 -280 -2668 957 1085 -886 -2029 -4139 -4915 -3005 -836 -3317 -434 -1938 2979 592 1511 -3403 -3981 -1592 2671 -449 -5563 -783 -2499 147 -1821 1614 2535 1160 -142 -1877 -1024 4467 7623 800 2751 -220 4267 1039 -1235 2807 4227 3624 2795 1699 -1233 -172 23 970 -3902 932 -3836 -1262 -3855 SS 20241213T132859.2Z 9113.561797 268 1 50.44 2 79.12 134.03 113.04 337.03 0.00 1 0.00 1 0 25 4.724e-01 8.460e-03 1.086e-01 1.408e-03 7.494939e-01 7.554161e-04 8.473859e-03 -6.000000e+00 2.749030e-01 222.84 -2.00 3.51 -2.00 320.89 0.00e+00 5.061257e-03 3.366372e-04 1.818002e-03 -6.000000e+00 1.227438e-02 277.36 -2.00 20.00 -2.00 320.39 0.00e+00 5.103 0.002 302.00 328.00 3 5.4680e-01 2.3867e-03 6.5011e-02 -6.0000e+00 6.7600e-01 1.1627e-01 3.2665e-03 4.2984e-02 -6.0000e+00 7.3574e-01 -9.6117e-02 3.4723e-03 2.1056e-02 -6.0000e+00 4.3924e-01 2.7179e-02 1.6872e-03 9.5329e-03 -6.0000e+00 1.8612e-01 8.4291e-04 -1.1508e-03 3.8815e-05 9.0878e-05 -6.0000e+00 1.4087e-02 6.8900e-03 0.0000e+00 11 8 0 10 0 0 89.79 22.25 0.22 0.00689 -0.00176 244 46 1 5 0 206.540 25.90 20.01 22.25 4.42 35.6 941.68 -151634 -209670 900000 -199693 -91123 -158306 -148791 66820 -158946 -89560 -182390 -129118 -142762 -67209 -13743 -18599 -77924 -72158 21117 -4870 -40981 -25329 -4141 -57964 -22623 -41763 48409 -35145 -23674 -52566 -8495 -2303 -3740 -6237 -7262 21830 -13433 -9044 -2505 5605 -5783 5833 -8157 -424 1198 6585 -1177 3104 5069 2650 3921 1125 489 5950 5744 2285 3899 1098 1109 138 -866 5002 2270 1290 2760 988 3231 1182 2679 1947 1437 858 1133 -951 687 -214 1354 1349 1192 -561 -389 592 -1772 -1095 -1942 -1239 -1685 -744 -934 -148 -56 772 781 1192 856 770 379 316 -438 -432 -339 -524 218 884 -263 -1298 -816 -991 -262 104 -331 -400 -204 3 -119 626 1163 930 495 -378 -706 -559 150 -26 59 -33 410 1527 969 10 293 190 413 207 139 -379 -129 171 -560 -516 -199 27 69 184 -738 -2277 900000 -2293 -375 -1126 -1003 92 -1508 -516 -2641 -1257 -2014 -596 -104 -169 -1537 -1540 198 -64 -808 -436 -59 -1527 -457 -1100 592 -908 -553 -1752 -213 -67 -134 -259 -316 706 -644 -474 -137 343 -463 464 -805 -41 117 627 -126 332 565 327 528 162 80 1016 1064 464 812 239 239 29 -186 1076 564 371 872 334 1072 406 898 740 621 404 547 -457 303 -86 491 508 440 -243 -200 330 -1150 -774 -1476 -932 -1347 -616 -790 -123 -45 610 584 875 669 640 369 337 -505 -537 -423 -612 240 894 -269 -1410 -934 -1204 -321 141 -481 -613 -333 5 -191 955 1796 1445 763 -617 -1187 -927 236 -42 90 -50 585 2231 1412 16 521 357 795 423 291 -848 -290 392 -1308 -1198 -444 58 146 379 SS 20241213T133507.1Z 9113.566054 271 1 50.52 2 78.29 135.19 113.44 338.42 0.00 1 0.00 1 0 25 3.870e-01 7.370e-03 9.941e-02 1.122e-03 7.085779e-01 5.948489e-04 8.054811e-03 -6.000000e+00 2.252247e-01 222.84 -2.00 3.51 -2.00 320.64 0.00e+00 3.572137e-03 2.475479e-04 1.457386e-03 -6.000000e+00 9.935620e-03 277.36 -2.00 20.00 -2.00 320.13 0.00e+00 4.771 0.002 302.00 328.00 3 5.1096e-01 1.8277e-03 6.0468e-02 -6.0000e+00 5.5382e-01 8.7762e-02 2.4125e-03 3.9027e-02 -6.0000e+00 6.0277e-01 -6.4215e-02 2.4859e-03 1.9409e-02 -6.0000e+00 3.5962e-01 1.4329e-02 1.2302e-03 7.6857e-03 -6.0000e+00 1.5180e-01 1.2532e-03 -1.0584e-03 3.1275e-05 7.9119e-05 -6.0000e+00 1.1532e-02 6.3690e-03 0.0000e+00 11 9 0 11 8 0 34.92 22.26 0.20 0.00637 -0.00158 303 57 1 5 0 166.690 25.90 19.98 22.26 4.78 35.5 943.03 -157646 -147098 152461 -152855 -98492 -129788 -110698 -17321 -74934 -126445 -116136 -104325 -92315 -66524 -6601 -46999 -40456 -64047 6671 12145 -38602 -1204 -18877 -30390 -23217 -7308 15647 -17951 -20012 -31391 -7434 -9096 -127 -9162 -2353 4006 -3805 -7259 164 1464 -1887 898 -5238 -105 -869 5860 -1771 3167 1880 5284 1720 2333 231 4249 3429 1000 2751 -366 1857 -49 -1 2883 2166 333 1561 1102 2435 1247 1693 1968 197 725 -351 -769 31 -36 916 1025 1218 -6 -36 -70 -1385 -1477 -1323 -1219 -1262 -1024 -688 -349 116 716 639 1605 779 991 580 772 -422 -432 -369 -345 264 821 -311 -1180 -604 -1010 -187 -23 7 -671 -236 52 2 724 1000 999 412 -333 -782 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