File name: Pandora55s1_QueensNY_20220126_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111300.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220126_L1_smca1c19d20211111p1-8.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: 20220126 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20220126T132230.0Z 8061.557292 254 1 49.08 2 79.07 126.56 63.05 207.87 0.00 1 0.00 1 0 25 5.423e-01 9.285e-03 1.413e-01 1.725e-03 7.808289e-01 9.386554e-04 8.856539e-03 -6.000000e+00 3.181643e-01 224.16 -2.00 3.51 -2.00 321.03 0.00e+00 5.195688e-03 4.226628e-04 2.665391e-03 -6.000000e+00 1.397166e-02 275.30 -2.00 20.00 -2.00 320.55 0.00e+00 5.086 0.002 302.00 328.00 3 7.2097e-01 2.9723e-03 6.6852e-02 -6.0000e+00 7.8628e-01 1.3045e-01 4.1709e-03 4.6832e-02 -6.0000e+00 8.5702e-01 -1.0150e-01 4.5633e-03 2.2084e-02 -6.0000e+00 5.0816e-01 2.7980e-02 2.1983e-03 8.4920e-03 -6.0000e+00 2.1251e-01 6.9397e-04 -2.5347e-03 4.6950e-05 9.0168e-05 -6.0000e+00 1.6452e-02 7.6640e-03 -1.0490e-04 11 8 0 10 0 0 0.11 22.68 0.26 0.00766 -0.01138 169 32 1 5 0 290.370 25.58 20.02 22.68 0.69 29.0 1025.48 -199004 -123724 900000 -239971 -60950 -148207 -194763 900000 -145231 -124924 -210058 -118117 -153741 -161699 180425 -38110 -63892 -38618 66775 14546 28630 -63793 -13795 -61703 -36234 -44067 96020 -46056 -51215 -55795 -7438 4416 -11592 -21662 -8292 30406 -15795 -12814 2614 1800 -12423 79 -7649 -604 1841 8978 -2175 6427 8477 6652 4529 2735 2569 8800 7589 2365 4205 2328 1946 860 1278 6299 1910 929 3011 187 3697 1162 3122 2328 580 -144 1066 -1255 616 -979 787 2232 1296 604 -817 1103 -1144 -1176 -1941 -1319 -1735 -957 -1024 -121 -206 235 1032 1232 1656 619 204 129 -425 -795 -562 -310 460 1049 -257 -1286 -974 -700 -252 480 -390 -855 -174 -302 -69 844 1263 1441 390 -363 -674 -206 -24 200 149 -195 504 1592 617 -278 348 -28 353 316 185 -391 -129 5 -501 -583 -54 -98 251 241 -1246 -451 900000 -3038 -131 -748 -1656 900000 -964 -747 -3068 -850 -2040 -2977 303 -360 -931 -502 357 133 238 -1293 -186 -1371 -721 -964 599 -1072 -1283 -1595 -165 109 -384 -890 -306 801 -661 -603 129 103 -952 6 -668 -52 158 742 -209 597 826 717 529 369 391 1388 1310 456 828 473 391 171 255 1277 438 247 871 58 1116 368 1047 853 244 -63 469 -570 255 -372 281 770 484 253 -397 617 -712 -799 -1362 -977 -1363 -777 -845 -97 -158 176 730 865 1246 519 193 137 -497 -966 -677 -358 490 1068 -266 -1370 -1094 -803 -311 635 -569 -1347 -280 -491 -108 1304 1887 2169 619 -588 -1118 -334 -38 305 226 -287 711 2264 908 -454 604 -52 687 655 399 -877 -294 11 -1186 -1367 -124 -217 532 495 SS 20220126T132859.7Z 8061.561803 257 1 48.69 2 78.09 127.77 63.65 209.43 0.00 1 0.00 1 0 25 3.861e-01 7.886e-03 7.961e-02 1.331e-03 7.297658e-01 7.138761e-04 8.402166e-03 -6.000000e+00 2.265165e-01 224.16 -2.00 3.51 -2.00 320.72 0.00e+00 3.884367e-03 2.968306e-04 2.550857e-03 -6.000000e+00 9.946795e-03 275.30 -2.00 20.00 -2.00 320.23 0.00e+00 4.699 0.002 302.00 328.00 3 6.8000e-01 2.1896e-03 6.1708e-02 -6.0000e+00 5.5979e-01 1.0828e-01 2.9277e-03 4.2743e-02 -6.0000e+00 6.1014e-01 -7.0613e-02 3.0910e-03 2.0158e-02 -6.0000e+00 3.6178e-01 1.4979e-02 1.5225e-03 7.0282e-03 -6.0000e+00 1.5130e-01 1.0969e-03 -2.4500e-03 3.6832e-05 7.9937e-05 -6.0000e+00 1.1712e-02 7.3585e-03 -1.0550e-04 11 8 0 10 0 0 29.48 22.68 0.22 0.00736 -0.01105 214 40 1 5 0 227.460 25.58 19.99 22.68 0.84 28.9 1024.99 -197252 -36304 900000 -154225 -121321 -46557 -156766 900000 -117050 -70624 -150781 -100210 -100457 -131797 82330 -45451 -25874 -10712 44502 5050 11014 -20038 -12339 -23806 -31519 -22777 5518 -4783 -32234 -15619 -11896 10880 -6381 -9840 -704 14145 -4088 -11333 8984 960 -2216 -1971 -4371 -3960 559 4427 -1696 3705 3604 6457 1057 2053 143 5949 3109 933 2331 608 1450 536 2077 2645 2428 -304 1938 -83 2611 1057 2605 1744 156 -95 -61 -675 -466 7 -296 2284 754 549 -296 96 -1527 -1566 -1510 -1505 -1139 -889 -722 -500 555 332 1232 1359 1148 1264 483 562 -401 -634 -429 -177 508 1311 -302 -1163 -788 -934 59 50 -88 -881 -101 -217 182 803 1114 983 327 -325 -902 -313 -130 -110 -125 20 310 1642 690 19 284 -90 375 133 128 -460 -128 111 -344 -537 -120 -11 143 289 -2095 -94 900000 -1474 -802 -143 -1536 900000 -995 -417 -2171 -1005 -1280 -2795 291 -719 -397 -161 425 77 165 -419 -248 -579 -832 -591 122 -117 -966 -426 -367 328 -273 -486 -33 560 -205 -709 560 78 -200 -197 -479 -452 63 491 -207 447 461 866 165 359 26 1144 664 215 551 148 346 126 485 655 679 -100 685 -31 949 396 962 734 75 -50 -32 -349 -223 3 -118 919 306 258 -166 59 -1071 -1126 -1157 -1225 -976 -792 -652 -444 466 262 913 1056 898 1122 476 605 -492 -790 -529 -213 546 1375 -324 -1263 -902 -1133 77 68 -129 -1364 -163 -354 287 1256 1682 1497 522 -523 -1494 -507 -211 -171 -188 29 454 2329 1041 32 497 -167 708 266 262 -1009 -281 249 -783 -1216 -260 -23 294 579 SS 20220126T133429.4Z 8061.565618 260 1 48.38 2 77.28 128.80 64.17 210.73 0.00 1 0.00 1 0 25 3.283e-01 7.237e-03 9.619e-02 1.101e-03 6.863024e-01 5.826693e-04 7.969527e-03 -6.000000e+00 1.913039e-01 224.16 -2.00 3.51 -2.00 320.45 0.00e+00 2.670213e-03 2.224390e-04 1.847785e-03 -6.000000e+00 8.346942e-03 275.30 -2.00 20.00 -2.00 319.95 0.00e+00 4.419 0.002 302.00 328.00 3 6.3845e-01 1.7347e-03 5.7232e-02 -6.0000e+00 4.7208e-01 8.8898e-02 2.2322e-03 3.8047e-02 -6.0000e+00 5.1423e-01 -5.1140e-02 2.2561e-03 1.8484e-02 -6.0000e+00 3.0607e-01 6.7283e-03 1.1327e-03 5.8557e-03 -6.0000e+00 1.2806e-01 1.5692e-03 -2.3972e-03 3.0658e-05 7.1494e-05 -6.0000e+00 9.7953e-03 7.2840e-03 -1.0847e-04 11 8 0 10 0 0 26.28 22.67 0.22 0.00728 -0.01073 257 49 1 5 0 188.220 25.58 20.02 22.67 0.89 28.9 1025.34 -122607 -63652 182297 -139060 -74047 -94828 -91348 -47042 -86965 -90462 -108606 -78034 -70471 -86149 17363 -17663 -35633 -2256 -1493 -1558 -7320 -15036 -11316 -21654 -18714 -17042 8961 -16580 -17298 -19864 -7743 -2321 -1701 -9289 -2103 8561 -6012 -3907 130 2499 -4434 -355 -4759 -1098 -998 3668 -2709 1964 1834 3962 2240 1573 2212 2971 3409 619 2270 400 1665 -58 1530 2974 2127 481 721 462 1536 1529 1876 1783 -56 -186 -301 -933 -256 -645 869 1402 1296 392 -110 -331 -1359 -1611 -1671 -1232 -1091 -834 -819 -466 75 641 927 1611 1330 1205 563 489 -363 -528 -453 -246 542 1074 -262 -1171 -429 -817 11 158 -231 -590 -254 -98 40 836 992 1055 380 -431 -933 -392 -37 -249 17 5 444 1468 741 -83 253 -187 357 301 250 -507 -217 239 -541 -463 -143 48 183 217 -946 -329 196 -1711 -455 -704 -696 -262 -824 -980 -1538 -930 -970 -1808 166 -295 -832 -43 -31 -34 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