File name: Pandora64s1_NewHavenCT_20250210_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250211T052709.3Z 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 v1.8.70 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250210_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: 20250210 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 20250210T124359.1Z 9172.530545 273 1 47.12 2 81.89 117.01 104.12 321.71 0.00 1 0.00 1 0 33 9.698e-01 7.848e-02 2.688e-01 2.290e-02 7.573955e-01 1.288555e-02 1.025966e-02 -6.000000e+00 5.797844e-01 224.68 -2.00 3.52 -2.00 320.72 0.00e+00 7.424940e-02 3.545682e-03 4.181552e-03 -6.000000e+00 2.512994e-02 274.92 -2.00 20.00 -2.00 320.32 0.00e+00 6.647 0.005 302.00 328.00 3 2.8567e+00 3.7360e-02 1.0962e-01 -6.0000e+00 1.4331e+00 1.8522e+00 4.2050e-02 1.5013e-01 -6.0000e+00 1.5545e+00 -2.0227e+00 2.3155e-02 2.2893e-02 -6.0000e+00 9.2412e-01 8.4269e-01 1.2199e-02 6.4378e-02 -6.0000e+00 3.9303e-01 1.0214e-05 -5.7123e-03 5.8788e-04 9.0602e-04 -6.0000e+00 2.8815e-02 2.0937e-03 1.4811e-04 12 8 8 10 0 0 99.95 21.60 -0.47 0.00209 -0.04083 16 4 1 5 0 2944.760 26.00 20.00 21.60 3.81 37.4 934.80 183563 251515 283654 311473 -39609 324355 107585 121714 272295 2940 -73573 135169 33083 79837 136601 275091 145534 284072 138905 319746 284128 900000 313022 230819 32042 50201 -37798 10675 80536 -64092 21778 104276 158128 110287 136858 160744 60576 20794 73734 29615 55032 12737 8290 -5878 44808 35893 79841 59192 67837 -18407 87795 44833 128213 15188 60449 9208 18592 -30253 42830 4823 8839 872 54900 -21307 86053 6876 19395 17686 45016 17430 32659 3642 6966 -9185 -7336 -10583 67573 -24228 -17215 7855 -1149 -16198 874 -7399 -7833 -9811 8758 -2661 6565 5735 -7967 -1361 -19277 -22588 -5966 3574 -4642 1327 -302 3311 2929 4491 -15247 738 -5633 -8470 -8375 16736 -4785 1062 -334 1755 -3394 1726 -4102 -2839 -1787 28 -1081 7984 2427 9417 5117 12504 5539 3250 -5912 6620 1828 -1244 -29 -360 1293 -218 232 -971 764 -973 2411 -1416 -1631 -4907 18215 15195 13458 10928 -22069 7242 7913 5435 6080 216 -9582 4829 3085 7445 10226 8504 14144 9758 14645 9281 10150 900000 6989 5669 2441 2802 -4266 841 4316 -15214 3215 8765 9268 9705 8403 7417 6365 2940 6688 3851 5421 1833 1357 -1210 6415 5832 9542 9329 10157 -6013 11646 8953 12524 4013 9845 2113 3528 -8631 6075 999 1962 243 10351 -9239 14918 2287 5942 5484 11223 5919 10290 1425 2456 -3432 -2530 -3400 10295 -8940 -7101 3074 -567 -10355 498 -4695 -5219 -6929 5321 -1842 4120 3478 -5130 -769 -12663 -16377 -4276 2801 -4457 1396 -349 3649 3008 4021 -15012 650 -5320 -8557 -9069 15377 -6106 1447 -511 2754 -5589 2617 -6324 -4244 -2735 44 -1822 12514 3899 13414 7330 15984 7327 4314 -8494 9164 3063 -2425 -58 -778 2891 -520 583 -2535 1964 -2561 6013 -3455 -3717 -10783 SS 20250210T132724.7Z 9172.560702 294 1 13.78 2 74.90 125.04 108.58 330.38 0.00 1 0.00 1 0 17 1.871e-01 1.026e-02 6.596e-02 3.808e-03 5.543296e-01 2.037876e-03 6.518854e-03 -6.000000e+00 1.117621e-01 224.68 -2.00 3.52 -2.00 319.75 0.00e+00 3.810242e-03 6.119129e-04 6.796133e-04 -6.000000e+00 4.830511e-03 274.92 -2.00 20.00 -2.00 319.23 0.00e+00 3.766 0.001 302.00 328.00 3 3.0452e+00 5.7611e-03 4.7183e-02 -6.0000e+00 2.7635e-01 1.1193e-01 6.8565e-03 2.8724e-02 -6.0000e+00 2.9985e-01 -6.5876e-02 5.9018e-03 1.5402e-02 -6.0000e+00 1.7821e-01 1.6820e-02 3.0771e-03 6.1377e-03 -6.0000e+00 7.5693e-02 2.9511e-04 -9.9449e-04 1.1275e-04 7.0298e-05 -6.0000e+00 5.5576e-03 -4.0312e-03 -7.6788e-05 12 9 9 12 1 1 99.35 21.60 -0.01 -0.00403 -0.01150 12 11 1 5 0 1059.570 26.00 20.00 21.60 6.11 37.3 944.05 -32075 -34911 -40177 -31392 -158420 -76551 -38490 -63765 -15438 -33932 -37097 -31341 -22409 -16839 -6851 -18215 -7894 -11045 1235 -3261 305 2486 -4774 1156 -3581 -668 -11300 -4192 2399 -18908 1399 1327 2026 2488 130 735 -3007 4024 4604 1761 1732 2440 -199 -1632 -1552 3294 963 4159 2105 -1245 4147 2108 4320 2783 1856 1569 339 384 -42 2130 643 1591 1263 1780 2497 93 -398 -848 1015 1747 -166 1134 -536 26 -840 -2149 -191 -2002 -344 -817 -1639 -910 -2101 -2045 -42 -1159 86 412 938 451 -399 -359 -1073 -414 104 483 -587 1144 754 18 -227 -1688 -1942 295 50 -1290 -406 -220 -146 280 1131 269 153 141 -53 -661 452 70 406 586 163 -108 774 409 781 930 -1287 540 813 248 116 -697 -749 -483 475 155 -527 135 359 -289 345 -777 -458 -568 -671 -484 -7097 -1665 -671 -1488 -265 -693 -826 -781 -642 -567 -254 -816 -350 -555 58 -169 15 124 -272 66 -227 -43 -806 -271 148 -1601 114 122 210 261 13 79 -382 530 725 329 353 523 -46 -387 -375 775 236 1020 548 -338 1184 671 1450 1018 709 621 138 154 -17 832 270 693 613 935 1305 48 -208 -462 609 1106 -114 783 -364 16 -517 -1222 -103 -1139 -207 -574 -1253 -773 -1834 -1889 -41 -1199 87 421 985 450 -374 -319 -981 -379 106 533 -706 1506 989 23 -282 -2029 -2239 349 60 -1647 -526 -304 -211 441 1819 443 247 224 -80 -979 678 110 645 948 260 -172 1196 606 1159 1331 -1851 788 1315 423 205 -1296 -1408 -924 958 323 -1085 281 729 -582 682 -1487 SS 20250210T135657.3Z 9172.581219 314 1 36.58 2 70.52 130.98 111.01 336.69 0.00 1 0.00 1 0 17 7.918e-02 8.216e-03 1.400e-02 1.611e-03 4.517356e-01 8.529612e-04 5.389980e-03 -6.000000e+00 4.731105e-02 224.68 -2.00 3.52 -2.00 318.78 0.00e+00 1.499021e-03 1.891226e-04 3.012584e-04 -6.000000e+00 2.044682e-03 274.92 -2.00 20.00 -2.00 318.24 0.00e+00 2.965 0.000 302.00 328.00 3 3.3605e+00 2.3039e-03 3.7573e-02 -6.0000e+00 1.1698e-01 7.0919e-02 2.6372e-03 2.3165e-02 -6.0000e+00 1.2692e-01 -3.1772e-02 1.9240e-03 1.1706e-02 -6.0000e+00 7.5433e-02 5.5172e-03 1.0150e-03 3.6688e-03 -6.0000e+00 3.2048e-02 5.3066e-04 -7.8056e-04 4.8674e-05 4.3010e-05 -6.0000e+00 2.3522e-03 -4.7072e-03 -4.3435e-05 12 9 1 12 1 1 99.60 21.60 0.13 -0.00471 -0.01057 39 13 1 5 0 914.420 26.00 20.01 21.60 7.38 37.7 949.83 -18208 -11242 -12553 -18098 -77491 -19425 -18073 -15759 2113 -5806 -14717 -4095 -8093 -4536 406 -332 -964 3785 2575 3364 2148 -1988 2222 -882 14 -1296 -760 -3482 -2613 -4259 1509 521 2478 802 -4655 -2014 -2725 -990 -45 -236 -155 -651 635 -792 -24 463 322 427 815 -1202 1724 1370 1655 1792 789 1196 1235 4 -7 530 388 1568 1515 2096 1489 -959 134 -683 746 1656 573 194 -44 179 -311 -1008 -59 -1990 -661 -331 -1434 -981 -2029 -2201 -658 -853 106 185 1053 780 264 540 -787 -197 629 461 -320 944 585 -479 -536 -1281 -2028 311 429 -1309 -317 -404 -314 397 737 268 -3 239 1 -309 745 52 597 208 -156 -323 877 157 1106 798 -1019 312 949 152 429 -552 -419 -407 428 -194 -394 343 258 -288 -28 -738 -603 -377 -441 -623 -4138 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