File name: Pandora55s1_QueensNY_20220108_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111210.4Z 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_20220108_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: 20220108 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 20220108T131342.6Z 8043.551187 73 1 50.11 2 82.26 128.34 123.55 60.48 0.00 1 0.00 1 0 25 9.016e-01 2.891e-02 2.616e-01 5.442e-03 8.390604e-01 3.152951e-03 9.235269e-03 -6.000000e+00 5.380793e-01 223.55 -2.00 3.51 -2.00 321.81 0.00e+00 9.769221e-03 1.680357e-03 3.489568e-03 -6.000000e+00 2.594838e-02 275.78 -2.00 20.00 -2.00 321.35 0.00e+00 6.915 0.006 302.00 328.00 3 7.7785e-01 1.1155e-02 8.5972e-02 -6.0000e+00 1.3296e+00 7.1455e-01 1.5535e-02 5.9738e-02 -6.0000e+00 1.4556e+00 -9.8759e-01 1.5176e-02 2.5020e-02 -6.0000e+00 8.6309e-01 4.1185e-01 7.0449e-03 1.1379e-02 -6.0000e+00 3.6222e-01 1.0611e-04 -3.3501e-03 1.5690e-04 1.2926e-04 -6.0000e+00 2.7855e-02 4.2709e-03 -1.1278e-04 12 8 8 10 0 0 81.89 22.70 0.34 0.00427 -0.02090 74 14 1 5 0 677.100 25.58 19.98 22.70 -0.51 28.6 1031.99 -22655 900000 900000 -184555 900000 -71549 29304 900000 -1084 -75067 -194752 -21842 -147236 -183133 900000 112623 -86706 37228 900000 900000 900000 28288 900000 -47077 89046 -33345 900000 -7464 485653 -83767 122428 174779 42610 4502 45383 900000 -11329 11786 155902 647470 35332 124232 12624 57453 63738 900000 18221 109048 133678 101541 74548 30902 33665 74437 92797 45698 66546 39240 52538 27385 17612 63570 14201 9251 27807 4975 24745 5502 15823 16091 8141 10689 19889 2905 17304 5477 16708 16713 3761 -338 -4345 12415 3231 2829 -6612 -1430 -6423 -1617 -4948 906 -4740 -2351 -1034 -1219 -2800 -1657 -4737 -4102 -1466 -4740 -979 -2363 699 1526 1114 -2527 -1922 -1224 -1499 1116 -984 -2828 -1216 -1061 -1155 99 1364 2596 476 389 -804 73 2026 3774 1049 1383 1438 2108 1201 -43 289 1002 1592 1236 253 -259 228 571 -577 -877 -586 -832 -475 -1207 -170 900000 900000 -7588 900000 -821 155 900000 -6 -929 -7680 -182 -5011 -11254 900000 637 -3770 549 900000 900000 900000 472 900000 -1577 837 -1015 900000 -171 2572 -4150 998 1047 1075 176 1210 900000 -499 460 1806 3429 1659 2734 823 2547 2687 900000 1215 3249 3315 3652 3760 2576 3007 4921 5491 4325 5315 4007 4624 2937 2052 5122 2007 1554 4352 1004 4179 1129 3148 3561 2152 2945 5085 838 4052 1302 3284 3218 877 -94 -1493 4245 1352 1286 -3465 -754 -3725 -935 -2996 514 -2724 -1257 -523 -620 -1548 -1036 -3542 -3519 -1382 -4936 -988 -2281 600 1214 888 -2182 -1740 -1165 -1543 1242 -1250 -4013 -1807 -1603 -1725 143 1911 3639 704 601 -1278 113 2993 5321 1473 1890 1919 2775 1681 -67 509 1913 3224 2646 575 -620 563 1434 -1470 -2231 -1443 -1949 -1049 -2615 SS 20220108T132549.6Z 8043.559601 76 1 48.91 2 80.48 130.53 121.57 63.01 0.00 1 0.00 1 0 25 4.995e-01 1.074e-02 1.923e-01 1.863e-03 7.277174e-01 1.009159e-03 8.294253e-03 -6.000000e+00 2.904769e-01 223.55 -2.00 3.51 -2.00 321.06 0.00e+00 5.632419e-03 4.581500e-04 2.928243e-03 -6.000000e+00 1.304755e-02 275.78 -2.00 20.00 -2.00 320.57 0.00e+00 5.765 0.003 302.00 328.00 3 2.5852e-01 3.2333e-03 7.0876e-02 -6.0000e+00 7.1570e-01 1.3631e-01 4.4778e-03 4.5786e-02 -6.0000e+00 7.7982e-01 -1.2515e-01 4.7863e-03 2.0557e-02 -6.0000e+00 4.6510e-01 4.2020e-02 2.3048e-03 8.4968e-03 -6.0000e+00 1.9704e-01 6.3354e-04 -2.5481e-03 5.2739e-05 8.4938e-05 -6.0000e+00 1.4929e-02 5.0080e-03 -1.2963e-04 12 8 8 10 0 0 12.01 22.70 0.24 0.00501 -0.01414 184 35 1 5 0 265.800 25.58 19.99 22.70 -0.30 28.7 1032.47 -224649 900000 900000 -223805 -53020 -80857 -10460 154887 28068 -156272 -191980 -133662 -135931 -172571 168431 -29068 -49090 -134887 49554 90937 -6716 9998 -22781 -26632 -26741 -28622 76654 -12886 -5973 -41829 616 5327 -1483 -23463 8491 31648 -1366 -14858 16421 5201 -2698 7122 -8725 3365 138 16273 -2399 12737 4949 10385 6599 4312 4458 8737 9936 2792 6017 455 3371 -526 2365 5225 3870 735 2785 335 3877 2264 2420 3597 -619 364 727 -455 702 -158 1463 2641 1579 -228 137 942 -1268 -1584 -1906 -1706 -1591 -1109 -1105 -330 -241 693 299 637 515 1286 -479 494 -464 -666 -573 -485 644 1056 -10 -1547 -683 -892 241 -148 -277 -926 -425 -31 -196 745 1069 1096 113 -256 -749 0 293 263 192 7 554 1254 756 53 370 -24 585 269 252 -420 -94 220 -506 -431 -318 -28 -72 100 -2566 900000 900000 -3514 -156 -305 -20 281 51 -1683 -3214 -1440 -1905 -4348 306 -306 -745 -5130 381 496 -94 121 -393 -512 -559 -650 675 -259 -114 -1232 14 142 -51 -1043 301 883 -56 -749 736 314 -204 542 -835 299 13 1352 -234 1191 498 1067 779 587 679 1402 1698 541 1172 95 674 -107 473 1086 922 194 797 102 1141 688 788 1308 -250 157 319 -196 295 -61 507 880 566 -96 65 516 -762 -1041 -1341 -1275 -1257 -866 -878 -270 -189 505 208 436 377 1065 -448 505 -541 -797 -681 -562 665 1063 -10 -1625 -754 -1047 289 -198 -398 -1419 -684 -50 -308 1158 1607 1662 173 -413 -1248 0 458 412 291 10 815 1806 1104 83 663 -46 1142 559 538 -926 -217 518 -1214 -1025 -728 -62 -150 211 SS 20220108T133459.5Z 8043.565967 81 1 48.27 2 79.18 132.23 120.04 64.86 0.00 1 0.00 1 0 25 2.815e-01 7.148e-03 5.469e-02 1.252e-03 6.564622e-01 6.625971e-04 7.560462e-03 -6.000000e+00 1.637337e-01 223.55 -2.00 3.51 -2.00 320.59 0.00e+00 3.052498e-03 2.634307e-04 1.482997e-03 -6.000000e+00 7.267029e-03 275.78 -2.00 20.00 -2.00 320.08 0.00e+00 5.132 0.002 302.00 328.00 3 2.3027e-01 2.0113e-03 6.1664e-02 -6.0000e+00 4.0343e-01 8.0328e-02 2.6119e-03 3.6248e-02 -6.0000e+00 4.3953e-01 -4.6634e-02 2.6458e-03 1.7734e-02 -6.0000e+00 2.6197e-01 7.1926e-03 1.3194e-03 5.9975e-03 -6.0000e+00 1.1028e-01 1.2818e-03 -2.1906e-03 3.5892e-05 6.9943e-05 -6.0000e+00 8.4099e-03 4.4258e-03 -1.0080e-04 11 8 0 10 0 0 15.61 22.70 0.24 0.00443 -0.01204 263 50 1 5 0 183.510 25.58 20.01 22.70 0.40 28.9 1033.18 -122458 -73910 900000 -148121 -53679 -118830 -26901 -33388 -65204 -86343 -101758 -55916 -83964 -85802 1589 -21498 -44912 -31850 -2236 7791 -9376 -5435 -1473 -22749 -11962 -25081 14271 -22256 -6287 -24878 2214 -4322 1202 -11220 919 13277 -6801 -6039 -102 2159 -4088 -241 -4799 -736 -1951 4070 -1884 2225 1760 3747 1325 1058 2269 3322 4105 1020 2251 -114 1119 151 1500 2953 2000 824 495 280 1393 1480 1891 1933 327 -42 -321 -1356 -326 -441 1138 1083 1768 402 180 38 -1053 -1246 -1570 -1050 -1333 -807 -876 -371 -210 496 578 1667 1339 1154 508 471 -277 -552 -284 -612 571 1067 -149 -1298 -541 -909 -351 177 -265 -461 -363 -79 -75 891 1063 1142 318 -329 -636 -280 -42 -96 26 -87 448 1510 770 49 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