File name: Pandora64s1_NewHavenCT_20231013_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240123T150430.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231013_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231013 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231013T115118.3Z 8686.493962 88 1 48.37 2 81.67 108.10 68.81 111.91 0.00 1 0.00 1 0 25 4.804e-01 2.115e-02 1.844e-01 6.296e-03 7.419235e-01 3.589024e-03 8.933400e-03 -6.000000e+00 2.882665e-01 226.13 -2.00 3.52 -2.00 321.42 0.00e+00 5.174328e-03 1.825751e-03 4.863268e-03 -6.000000e+00 1.289147e-02 284.28 -2.00 20.00 -2.00 320.87 0.00e+00 6.482 0.005 302.00 328.00 3 1.9957e+00 1.2624e-02 7.8847e-02 -6.0000e+00 7.1281e-01 4.7008e-01 1.6570e-02 4.8744e-02 -6.0000e+00 7.7180e-01 -6.1735e-01 1.4570e-02 2.4305e-02 -6.0000e+00 4.6077e-01 2.5442e-01 6.8917e-03 6.7706e-03 -6.0000e+00 1.9647e-01 5.2590e-05 -2.1017e-03 1.8402e-04 1.4638e-04 -6.0000e+00 1.4283e-02 4.4040e-03 -1.6983e-04 12 8 8 10 0 0 99.62 20.98 0.16 0.00440 -0.01139 31 7 1 5 0 1560.220 25.58 20.00 20.98 15.88 37.4 974.11 -73437 -130852 -160326 -108547 -74156 -165657 -167559 -182384 64634 -133706 -122620 -120762 -76894 -121250 -2745 -74992 -55274 -57220 -13358 -16482 -37325 28470 203956 -9045 1512 -27201 -29718 -48788 21158 -95204 -608 30529 44317 11890 19345 -6880 9477 14107 21104 19003 28683 17777 37281 -2388 13800 12310 9986 18267 24414 -8460 26598 53169 20668 12720 14465 16240 11917 11718 15403 11880 4478 6696 10822 12761 19984 7379 6838 13647 5752 3878 6786 4640 1403 4217 -784 1884 5452 -2782 -3783 3179 -2590 -3648 -2582 -1888 -1934 -1007 901 328 983 253 -2598 -1120 -6040 -3914 -1840 296 -2579 176 342 -1979 -1511 -3016 -4025 -395 -1470 -3165 -1394 509 -1158 95 772 -436 585 642 251 -1451 313 560 1054 1404 435 189 1940 2233 2631 892 -1518 1420 1795 326 428 -815 -123 -462 630 -271 -406 459 814 -630 -808 -1568 -789 -2552 -4285 -1666 -740 -3889 -4236 -5796 397 -3130 -2729 -3197 -1682 -4904 -44 -2708 -1797 -2066 -343 -449 -1232 481 1252 -246 38 -939 -1038 -2003 447 -6945 -22 937 1343 502 720 -348 458 723 1204 1270 1885 1374 2464 -236 1181 1094 934 1656 2204 -1094 2882 4858 2836 1922 2225 2531 1955 1878 2312 1856 800 1311 2299 2947 4376 1809 1745 3440 1779 1301 2342 1658 495 1419 -251 538 1489 -885 -1351 1253 -1249 -2016 -1518 -1171 -1222 -662 604 223 655 169 -1683 -690 -3930 -2727 -1378 252 -2602 185 377 -2168 -1531 -2941 -3764 -373 -1498 -3431 -1525 595 -1541 135 1185 -702 929 986 372 -2157 473 881 1735 2323 705 295 2894 3343 3821 1284 -2241 2147 3086 607 871 -1781 -272 -1093 1573 -677 -1028 1163 2006 -1548 -1880 -3486 SS 20231013T120632.5Z 8686.504543 93 1 48.37 2 78.97 110.79 66.29 114.88 0.00 1 0.00 1 0 17 2.623e-01 7.863e-03 2.558e-02 9.041e-04 5.997075e-01 4.940850e-04 6.927386e-03 -6.000000e+00 1.574126e-01 226.13 -2.00 3.52 -2.00 320.43 0.00e+00 1.976956e-03 1.946445e-04 1.119176e-03 -6.000000e+00 7.036457e-03 284.28 -2.00 20.00 -2.00 319.81 0.00e+00 5.040 0.002 302.00 328.00 3 1.8840e-01 1.5176e-03 5.9240e-02 -6.0000e+00 3.8925e-01 5.2220e-02 1.9336e-03 3.1930e-02 -6.0000e+00 4.2140e-01 -3.1072e-02 1.7869e-03 1.6669e-02 -6.0000e+00 2.5159e-01 2.1412e-03 8.9142e-04 5.3667e-03 -6.0000e+00 1.0732e-01 1.5392e-03 -6.2755e-04 2.6947e-05 7.0088e-05 -6.0000e+00 7.7953e-03 3.4321e-03 -9.9388e-05 11 9 0 11 8 0 8.81 20.97 0.19 0.00343 -0.00128 477 115 1 5 0 101.390 25.58 20.00 20.97 16.29 37.6 977.28 -88976 -87835 -81167 -90642 -146806 -85064 -86884 -78642 -69752 -59105 -61607 -47436 -40736 -34063 -19598 -15474 -16229 -16192 -15152 -7245 -9034 -8810 -8945 -8850 -9350 -6121 -10368 -10877 -10252 -12883 -4170 -3899 68 -2416 -7291 -6132 -2819 -951 1872 1477 1508 1268 2146 602 1804 2869 1601 2505 1926 1288 3614 -3603 2355 2422 1272 1119 1199 255 381 595 1291 2385 2347 3471 1324 -582 287 -798 1376 1809 537 693 -324 84 -555 -1554 -914 -1860 -435 -646 -1394 -786 -1875 -1984 -481 -366 397 447 1220 904 440 296 -912 -176 561 134 -129 1115 500 -484 -510 -1637 -1978 320 279 -1385 -458 -805 -112 391 865 279 227 14 -386 -244 457 -142 836 475 -185 -238 736 133 916 386 -1475 380 828 170 218 -716 -708 -386 516 -162 -334 545 460 -247 203 -671 -847 -921 -837 -967 -2640 -870 -1011 -964 -879 -724 -836 -677 -689 -676 -413 -363 -425 -470 -463 -217 -280 -280 -309 -303 -343 -229 -405 -418 -403 -588 -208 -222 4 -156 -481 -430 -220 -88 204 188 192 173 304 88 267 430 249 404 329 241 741 -873 586 650 360 331 361 77 112 178 409 770 847 1353 529 -231 116 -342 655 963 308 404 -184 45 -271 -704 -403 -872 -232 -373 -927 -584 -1506 -1585 -407 -326 366 415 1108 779 382 245 -757 -145 522 143 -147 1396 651 -614 -601 -1783 -2220 348 323 -1705 -598 -1067 -162 587 1392 459 367 22 -603 -375 717 -222 1363 788 -303 -375 1120 207 1369 560 -2172 599 1371 295 408 -1415 -1402 -810 1088 -355 -745 1221 1010 -520 426 -1361 SS 20231013T121205.2Z 8686.508393 96 1 48.34 2 78.00 111.78 65.38 115.99 0.00 1 0.00 1 0 17 1.758e-01 7.262e-03 1.700e-02 7.091e-04 5.607010e-01 3.846929e-04 6.518183e-03 -6.000000e+00 1.055041e-01 226.13 -2.00 3.52 -2.00 320.13 0.00e+00 1.480380e-03 1.368225e-04 8.199381e-04 -6.000000e+00 4.715878e-03 284.28 -2.00 20.00 -2.00 319.49 0.00e+00 4.664 0.002 302.00 328.00 3 1.6362e-01 1.1406e-03 5.4901e-02 -6.0000e+00 2.6089e-01 4.4014e-02 1.4083e-03 2.9564e-02 -6.0000e+00 2.8244e-01 -1.6172e-02 1.2473e-03 1.5113e-02 -6.0000e+00 1.6862e-01 -5.2683e-03 6.3506e-04 4.6772e-03 -6.0000e+00 7.1933e-02 2.3445e-03 -6.6634e-04 2.1306e-05 5.8713e-05 -6.0000e+00 5.2244e-03 3.0308e-03 -1.0082e-04 11 8 0 10 0 0 8.27 20.96 0.18 0.00303 -0.00198 595 143 1 5 0 81.230 25.58 20.00 20.96 16.79 37.5 979.48 -56070 -62012 -51206 -69281 -98024 -60877 -47597 -51698 -44901 -42937 -48094 -30185 -26877 -15888 -14351 -8053 -10565 -3191 -8841 33 -9139 -3761 -6429 -1742 -6431 -375 -7762 -3426 -9085 -3646 -2322 973 -223 538 -6709 -2098 -3508 385 -141 1898 -372 416 386 458 809 1498 193 1461 54 432 1459 -1855 1206 1729 576 1363 1117 376 -84 362 752 2035 2086 2935 1221 -908 233 -1040 1123 1614 833 690 67 167 -484 -1558 -1134 -2466 -612 -540 -996 -615 -1574 -2009 -375 -362 621 546 1308 490 512 337 -492 -178 839 108 -73 1117 644 -470 -532 -1754 -1864 232 374 -1417 -371 -826 -126 371 823 188 181 -14 -234 -217 496 5 714 377 -256 -315 607 206 953 507 -1360 380 733 137 238 -620 -703 -353 390 -128 -418 566 350 -152 222 -618 -597 -776 -602 -915 -1654 -745 -569 -736 -671 -677 -855 -536 -578 -379 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