File name: Pandora64s1_NewHavenCT_20241204_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241205T051739.2Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241204_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: 20241204 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 20241204T123825.5Z 9104.526684 59 1 47.72 2 85.01 125.78 117.62 102.79 0.00 1 0.00 1 0 17 6.508e-01 8.070e-02 2.178e-01 2.847e-02 1.042512e+00 1.678113e-02 1.399568e-02 -6.000000e+00 3.861861e-01 222.87 -2.00 3.52 -2.00 321.09 0.00e+00 4.415521e-02 4.177249e-03 1.153980e-03 -6.000000e+00 1.706698e-02 278.01 -2.00 20.00 -2.00 320.61 0.00e+00 9.843 0.018 302.00 328.00 3 -3.7978e-01 4.9645e-02 1.2032e-01 -6.0000e+00 9.4972e-01 2.8846e+00 5.6696e-02 9.8709e-02 -6.0000e+00 1.0312e+00 -2.7632e+00 2.9323e-02 2.5069e-02 -6.0000e+00 6.1499e-01 9.4282e-01 1.6123e-02 3.3389e-02 -6.0000e+00 2.6306e-01 8.2409e-06 -3.4263e-03 6.8820e-04 5.9460e-04 -6.0000e+00 1.9328e-02 1.6662e-03 -1.0527e-04 12 8 8 10 0 0 16.27 21.20 0.65 0.00167 -0.02408 22 5 1 5 0 2168.830 25.68 20.00 21.20 4.49 37.3 927.68 208614 205162 166555 182946 -49361 122402 102115 46178 293717 38807 -54063 26664 27159 51794 171123 136034 90880 162244 115034 103775 91604 900000 131786 82956 27499 120551 -33892 18057 44629 -64760 26696 55204 65552 94764 47193 44758 26385 26866 51718 13368 71740 15621 -1472 -44578 304 40108 55156 5279 17885 -41038 71872 101975 112852 37173 94404 517 35240 -26350 35175 -10221 7662 -11855 54556 -23594 86572 -5437 25436 64636 88137 4730 14305 15169 5331 -18360 -1492 -46815 140552 -39279 -16179 7387 12444 -15034 3863 -1186 9806 -15413 4814 -2608 7951 5217 -5607 15484 -15396 -19400 -7073 19494 -2462 5453 7437 1818 -656 -1035 -19307 3671 -15780 -3779 -7729 25964 -2932 5327 5066 73 -736 2147 -1852 -6831 -83 176 -527 5958 3053 6720 4511 6065 2550 910 -7989 3312 1582 1757 -1579 -4490 -342 -72 -535 404 -561 1087 2226 -829 -453 -639 19301 19930 21958 16079 -30141 10758 8030 4806 8152 2872 -9503 2590 3769 7787 10794 14073 14294 13919 13569 13354 11095 900000 6983 5652 2637 3954 -4789 1504 3153 -15728 3705 6686 7774 7891 5358 4743 3262 3322 5089 1956 5792 2207 -253 -11810 52 4756 5845 972 3024 -13151 7979 8748 8827 6190 8337 108 4802 -6050 4083 -1857 1237 -2632 7158 -7620 9611 -1495 5263 9296 10897 1456 4043 4095 1439 -5513 -328 -14529 7412 -12686 -5062 2218 4113 -7359 1657 -551 4231 -8750 2272 -1316 3511 2225 -2476 5353 -7420 -10965 -4248 10870 -1862 4414 6296 1586 -536 -737 -14871 2464 -12409 -2744 -6346 18475 -2957 5766 6234 101 -1045 2930 -2570 -9922 -117 260 -816 8558 4272 8518 5645 7224 3084 1107 -10829 4596 2676 3438 -3607 -11517 -841 -189 -1506 1157 -1632 3125 6151 -2197 -1197 -1574 SS 20241204T125001.8Z 9104.534744 62 1 47.88 2 83.26 127.83 115.58 104.38 0.00 1 0.00 1 0 25 5.055e-01 3.129e-02 2.079e-01 7.703e-03 9.548553e-01 4.546403e-03 1.133615e-02 -6.000000e+00 2.997591e-01 222.87 -2.00 3.52 -2.00 322.11 0.00e+00 4.189356e-02 2.416645e-03 8.221323e-03 -6.000000e+00 1.321475e-02 278.01 -2.00 20.00 -2.00 321.70 0.00e+00 7.779 0.009 302.00 328.00 3 3.7802e-01 1.6402e-02 1.2446e-01 -6.0000e+00 7.3743e-01 1.5252e+00 1.9239e-02 1.3426e-01 -6.0000e+00 8.0091e-01 -1.9740e+00 1.4424e-02 2.5244e-02 -6.0000e+00 4.7754e-01 8.1696e-01 7.3279e-03 4.0443e-02 -6.0000e+00 2.0397e-01 4.7600e-05 -4.3824e-03 2.0342e-04 4.6649e-04 -6.0000e+00 1.5010e-02 8.5345e-04 -1.0126e-04 12 8 8 10 0 0 84.35 21.20 0.15 0.00085 -0.03208 71 17 1 5 0 674.290 25.68 20.01 21.20 5.12 37.3 930.36 93617 116795 105356 49692 -132445 87429 -11416 -37184 2308 40493 -68135 53592 -19854 52527 43634 118321 70049 87199 77334 177389 72320 270765 116880 15375 60093 22602 -19325 75187 35172 -38972 46943 63033 92883 71673 74235 14250 74166 37168 79763 56872 66674 41876 45979 20471 52426 50026 77239 33560 43528 15730 79324 31337 88332 35751 53604 38003 32166 7589 37801 17091 18319 13293 39893 15344 49009 21765 32480 32186 25396 11806 17406 15218 15093 8814 1388 -6256 15315 -3974 3822 9482 4106 80 2314 -3685 256 -2732 1670 595 3139 2090 -2762 -3495 -8889 -8874 -8152 -4065 -4355 -678 698 -84 -875 -1681 -6271 -3749 -4996 -4933 -5461 -835 -4742 -1541 -1571 -1607 -2124 -195 -1401 -1296 -38 702 1798 2310 2557 3863 3291 4497 3538 2638 -856 1774 1695 1790 1262 638 223 91 204 -100 -1124 -222 336 -82 -717 -2940 2173 2313 2302 1595 -17446 1194 -327 -1117 39 415 -2000 644 -664 1219 1460 2262 2391 2679 2587 2265 2123 2034 1756 483 1128 509 -633 1073 845 -2262 1538 2109 2600 2447 2179 720 2284 1573 2576 2213 2413 2001 2229 1328 2577 2664 3322 2406 3002 1536 4495 3081 5126 3613 4392 3477 2965 839 2968 1680 1926 1688 4521 2334 6124 3566 4945 5120 4371 2579 3726 3296 3051 1710 257 -1139 2468 -791 859 2469 1321 30 930 -1642 116 -1323 800 291 1479 949 -1236 -1527 -4172 -4654 -4691 -2722 -3485 -610 667 -80 -776 -1327 -4713 -2779 -3986 -4118 -4985 -807 -5487 -1862 -2148 -2348 -3178 -283 -2004 -1840 -55 1067 2831 3627 3830 5400 4473 5843 4535 3368 -1140 2594 2934 3559 2641 1454 548 239 571 -289 -3291 -647 947 -217 -1766 -6886 SS 20241204T130030.3Z 9104.542017 65 1 48.42 2 81.73 129.72 113.76 105.81 0.00 1 0.00 1 0 33 3.532e-01 3.168e-02 1.217e-01 6.696e-03 8.452402e-01 3.829427e-03 1.053197e-02 -6.000000e+00 2.095094e-01 222.87 -2.00 3.52 -2.00 321.72 0.00e+00 3.228213e-02 1.852288e-03 1.261138e-03 -6.000000e+00 9.234248e-03 278.01 -2.00 20.00 -2.00 321.27 0.00e+00 6.530 0.005 302.00 328.00 3 1.5457e+00 1.3024e-02 8.1867e-02 -6.0000e+00 5.1541e-01 1.0965e+00 1.5687e-02 6.3883e-02 -6.0000e+00 5.5973e-01 -1.4422e+00 1.2253e-02 2.5785e-02 -6.0000e+00 3.3374e-01 6.0729e-01 6.0951e-03 2.8904e-02 -6.0000e+00 1.4258e-01 5.8117e-05 -3.2088e-03 1.8155e-04 4.3339e-04 -6.0000e+00 1.0490e-02 9.0982e-04 -3.6872e-05 12 8 8 10 0 0 99.01 21.21 0.16 0.00091 -0.02320 71 17 1 5 0 681.890 25.68 20.00 21.21 5.53 37.2 931.80 26473 10956 32439 -1457 -163481 -52424 -66772 -77565 22535 -94889 -93555 -56186 -12771 17198 34307 38588 65776 55756 59860 64624 50021 73764 58711 37206 -3135 23405 27975 4237 17993 -38910 17863 42667 41455 80169 25619 30403 39641 33525 38271 54234 48075 36841 43293 21374 43019 44387 54543 48248 36977 26805 53572 138106 57302 39782 33027 23300 17402 11644 19574 21887 16642 16462 24847 18247 33018 15862 17514 20104 14782 13636 8967 11140 5828 6612 5787 -4735 10225 -5861 -2951 871 -2183 -2960 -1632 -5180 -1376 -3642 -76 -2133 2346 -538 -3818 -5222 -9609 -9657 -5297 -4568 -3173 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