File name: Pandora55s1_QueensNY_20210124_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T175402.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210124_L1_smca1c11d20210101p1-8.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: 20210124 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]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210124T130304.6Z 7694.543804 188 1 5.29 2 82.36 123.41 117.55 352.26 0.00 1 0.00 1 0 47 8.544e-01 3.918e-02 4.189e-01 2.301e-02 1.048767e+00 1.454384e-02 2.266079e-02 -6.000000e+00 5.203219e-01 224.09 -2.00 3.51 -2.00 322.09 0.00e+00 -9.650093e-04 7.017674e-03 3.981455e-02 -6.000000e+00 2.591815e-02 275.30 -2.00 20.00 -2.00 321.66 0.00e+00 6.997 0.006 302.00 328.00 3 8.6157e-01 4.9756e-02 2.1001e-01 -6.0000e+00 1.2908e+00 1.4425e+00 6.3388e-02 2.3980e-01 -6.0000e+00 1.4149e+00 -1.8722e+00 5.3714e-02 1.1443e-01 -6.0000e+00 8.3181e-01 7.4986e-01 2.6386e-02 2.8111e-02 -6.0000e+00 3.5525e-01 6.1149e-05 -2.0178e-02 6.2089e-04 1.0506e-03 -6.0000e+00 2.7514e-02 4.7484e-02 -3.0180e-03 12 9 9 12 1 1 99.93 22.81 0.33 0.04748 -0.10415 3 7 1 5 0 1278.000 25.68 19.99 22.81 -0.23 25.9 1020.81 900000 48215 900000 -105122 900000 -9608 -41811 900000 -100152 26429 -104724 900000 -102745 135224 900000 54233 -27087 900000 900000 241197 900000 22715 900000 -23293 129626 12546 900000 900000 146486 -28176 199248 128204 65889 900000 52525 900000 -6514 50375 900000 900000 65625 57205 81208 -6951 231539 900000 53281 575619 900000 220772 6358 48730 13098 900000 296003 57073 115705 900000 83346 56265 32081 127355 19258 -485 90231 -15813 75665 2167 45322 31872 25953 14871 64092 333 40561 -912 17260 27611 -28815 22313 -10780 21171 4855 15418 311 7408 -3857 -3011 -10464 -4616 -3232 -4308 11642 -7180 -2047 -376 -5397 -6427 -4651 -4525 -2043 1761 -3152 1757 -1543 1601 -4643 2049 -1823 3245 -739 -4375 -267 -2622 244 -1336 1191 1135 1162 -3140 1669 1783 4181 4765 -870 3371 -702 2412 -650 -1557 -377 4061 416 148 1642 364 250 -290 -67 -1090 15 -1524 -1507 900000 900000 1077 900000 -7550 900000 -215 -1200 900000 -5211 591 -5770 900000 -7096 3022 900000 1398 -1619 900000 900000 5390 900000 755 900000 -1178 2897 467 900000 900000 3274 -1315 4453 2865 1959 900000 1797 900000 -360 1788 900000 900000 2969 2954 3399 -652 5174 900000 2648 12864 900000 4934 608 3476 1424 900000 6615 4874 5847 900000 5314 4310 2945 4920 2251 -77 6836 -3354 6988 409 6180 5493 5226 3505 9603 85 6503 -192 2778 3970 -7577 4270 -3349 5734 1732 5450 134 3126 -1880 -1495 -5616 -2297 -1519 -1942 4393 -3277 -976 -205 -3624 -5066 -4091 -4309 -1926 1519 -2564 1253 -1111 1163 -3765 1652 -1652 3157 -848 -5827 -372 -3878 353 -1929 1660 1598 1690 -4896 2534 2641 5806 6317 -1174 4310 -906 3010 -879 -2387 -655 7562 862 326 3792 894 636 -754 -174 -2833 38 -3628 -3346 900000 SS 20210124T131435.2Z 7694.551796 191 1 50.41 2 80.56 125.47 117.76 355.14 0.00 1 0.00 1 0 25 8.083e-01 1.135e-02 1.620e-01 1.796e-03 9.073030e-01 1.000509e-03 1.002825e-02 -6.000000e+00 4.729847e-01 224.09 -2.00 3.51 -2.00 321.48 0.00e+00 5.591009e-03 5.070931e-04 4.143703e-03 -6.000000e+00 2.082785e-02 275.30 -2.00 20.00 -2.00 321.05 0.00e+00 5.809 0.004 302.00 328.00 3 5.7913e-02 3.3792e-03 7.9429e-02 -6.0000e+00 1.1671e+00 2.4515e-01 5.2175e-03 6.0758e-02 -6.0000e+00 1.2696e+00 -2.6427e-01 5.9927e-03 2.7851e-02 -6.0000e+00 7.5671e-01 9.8701e-02 2.7781e-03 1.1381e-02 -6.0000e+00 3.1926e-01 5.9426e-04 -1.4174e-03 4.7087e-05 1.2156e-04 -6.0000e+00 2.4163e-02 -9.4547e-04 2.1117e-05 12 8 8 10 0 0 2.31 22.80 0.25 -0.00095 -0.01160 245 46 1 5 0 205.690 25.68 20.02 22.80 0.28 25.9 1022.42 -323435 -62525 900000 -336563 -232535 -252555 -253145 -223570 -213576 -229408 -306389 -195521 -217555 -86089 900000 -96328 -117234 -81171 22453 225109 -3044 -68097 -77021 -80338 -80447 -62351 71631 -61027 -50664 -92735 -43691 -22194 -24035 -37226 -2605 86159 -9581 -15218 15648 8303 -3530 5083 -8918 -3051 6754 26525 -3585 11873 12503 15564 409 8623 6840 15000 16205 7626 10712 7379 8091 3468 2828 8835 4066 7 6298 2400 7103 2527 5314 4168 -242 1452 2940 -58 1204 -692 1983 3707 -636 585 -1089 1299 -268 -488 -1694 -859 -1432 -1114 -1445 -183 514 395 531 1057 170 510 -533 -6 -489 -960 -710 -460 341 830 170 -1529 -958 -949 -386 -196 -369 -864 -457 -166 -205 614 943 984 343 -164 -762 61 459 443 23 78 447 1507 929 -5 275 187 620 326 333 -384 -137 267 -334 -937 -88 10 104 -92 -3021 -110 900000 -5033 -1290 -1659 -1737 -1273 -1247 -1741 -5545 -1370 -2477 -364 900000 -801 -1472 -829 92 394 -18 -795 -1012 -1173 -1292 -901 308 -917 -703 -2139 -746 -392 -537 -1092 -57 767 -231 -442 407 284 -147 219 -479 -163 338 1126 -215 648 734 977 34 748 688 1554 1814 923 1315 954 1023 446 364 1132 619 1 1243 529 1529 589 1306 1176 -76 485 994 -20 372 -210 534 957 -185 184 -422 585 -132 -267 -1004 -536 -947 -766 -1015 -126 335 243 312 619 108 376 -443 -6 -521 -1120 -834 -505 332 773 156 -1502 -990 -985 -432 -247 -506 -1277 -728 -271 -332 952 1418 1488 542 -272 -1297 100 714 656 35 114 631 2075 1363 -8 487 355 1282 692 760 -903 -337 671 -816 -2376 -213 24 226 -200 SS 20210124T133321.4Z 7694.564831 205 1 50.88 2 77.73 128.94 117.88 359.85 0.00 1 0.00 1 0 25 3.847e-01 7.054e-03 3.627e-02 8.169e-04 7.326492e-01 4.359899e-04 8.372897e-03 -6.000000e+00 2.249998e-01 224.09 -2.00 3.51 -2.00 320.60 0.00e+00 2.814013e-03 1.748485e-04 1.658705e-03 -6.000000e+00 9.793503e-03 275.30 -2.00 20.00 -2.00 320.11 0.00e+00 4.570 0.002 302.00 328.00 3 1.1375e-02 1.3162e-03 5.9918e-02 -6.0000e+00 5.5520e-01 1.0373e-01 1.7376e-03 4.0465e-02 -6.0000e+00 6.0390e-01 -7.3398e-02 1.8099e-03 2.0000e-02 -6.0000e+00 3.5953e-01 1.8153e-02 8.9913e-04 7.1483e-03 -6.0000e+00 1.5112e-01 2.4067e-03 -1.0779e-03 2.2327e-05 7.8254e-05 -6.0000e+00 1.1463e-02 -1.3181e-03 1.9293e-05 11 8 0 10 0 0 19.04 22.81 0.22 -0.00132 -0.00942 503 95 1 5 0 100.130 25.68 20.02 22.81 1.11 25.9 1020.61 -153091 -125832 -55437 -149460 -110348 -138606 -136770 -112970 -116023 -97026 -138380 -84960 -108687 -60443 -20337 -33113 -44767 -41442 -10960 -13393 -18355 -22572 -19271 -26285 -19988 -25924 -1093 -24107 -14770 -24726 -12846 -3220 -4574 -7167 -5043 7076 -7910 -2635 -1465 165 -2767 -829 -3729 -1932 -102 3527 833 2312 2517 2951 2193 1791 2453 2659 2557 1942 1454 845 338 1113 1070 2370 1997 1236 991 1185 2214 1285 2362 1486 425 -63 85 -600 -465 -335 962 1034 1091 118 191 -94 -1448 -1289 -1425 -1205 -1166 -729 -792 -327 135 685 674 1277 1228 853 709 705 -503 -583 -284 -336 395 937 -140 -1200 -841 -809 -197 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