Featrure/pcolarco/update for f5430

CHANGELOG.md

@@ -12,10 +12,12 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### Added
 - add optional explicit bin ordering to aop.py yaml. this allows for calculating AOP's for a single bin, or subset of bins
+- add configuration file for GEOS-5430 (current FP)
 - add a buddy check code for station observation QC
 
 ### Changed
 - use xesmf regridder to station sampling. this is more efficient that using xarray native interp
+- changed 'compat' keyword definition in xrctl.py to make more flexible if 'override' is needed
 
 ### Removed
 ### Deprecated

src/config/geos543_pm25.yaml

@@ -0,0 +1,121 @@
+#
+# GEOS Aerosol Mie table Definition for each of species.
+# This example is for calculating PM2.5 concentrations for a nominal GOCART-2G Model Configuration.
+# Note that the two largest Nitrate bins should not be included in the calculation of PM2.5.
+# The order of the tracers and rhod correspond to the bins in the optics netcdf files.
+#
+#  rhod: particle density in kg m-3
+#  shapefactor: factor that accounts for aerodynamic resistance of non-spherical particles
+#               this is used to calculate the aerodynamic radius for PM calculations when the aerodymic flag is turned on
+#               see the following reference for further documentation
+#               GMAO Office Note No. 22 (Version 1.1):
+#               Collow, A., V. Buchard, M. Chin, P. Colarco, A. Darmenov, and A. da Silva, 2023.
+#               Supplemental Documentation for GEOS Aerosol Products
+#   pmconversion: additional factor for unaccounted aerosol species. was implemented to allow for sulfate to represent missing ammonium in MERRA-2.
+#                 For a nominal GOCART-2G simulation pmconversion = 1 for all species.
+
+DU:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_DU.v15_3.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_DU.v15_3.RRTMG.nc4
+  tracers:
+    - DU001
+    - DU002
+    - DU003
+    - DU004
+    - DU005
+  shapefactor: 1.4
+  rhod:
+    - 2500
+    - 2650
+    - 2650
+    - 2650
+    - 2650
+  pmconversion: 1
+
+
+SS:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_SS.v3_3.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_SS.v3_3.RRTMG.nc4
+  tracers:
+    - SS001
+    - SS002
+    - SS003
+    - SS004
+    - SS005
+  shapefactor: 1
+  rhod:
+    - 2200
+    - 2200
+    - 2200
+    - 2200
+    - 2200
+  pmconversion: 1
+
+
+OC:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_OC.v1_3.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_OC.v1_3.RRTMG.nc4
+  tracers:
+    - OCPHOBIC
+    - OCPHILIC
+  shapefactor: 1
+  rhod:
+    - 1800
+    - 1800
+  pmconversion: 1
+
+BC:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_BC.v1_3.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_BC.v1_3.RRTMG.nc4
+  tracers:
+    - BCPHOBIC
+    - BCPHILIC
+  shapefactor: 1
+  rhod:
+    - 1800
+    - 1800
+  pmconversion: 1
+
+BR:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_BRC.v1_5.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_BRC.v1_5.RRTMG.nc4
+  tracers:
+    - BRPHOBIC
+    - BRPHILIC
+  shapefactor: 1
+  rhod:
+    - 1800
+    - 1800
+  pmconversion: 1
+
+SU:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_SU.v1_3.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_SU.v1_3.RRTMG.nc4
+  tracers:
+    - SO4
+  shapefactor: 1
+  rhod:
+    - 1700
+  pmconversion: 1
+
+NI:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_NI.v2_5.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_NI.v2_5.RRTMG.nc4
+  tracers:
+    - NI001
+    - NI002
+    - NI003
+  shapefactor: 1
+  rhod:
+    - 1725
+  pmconversion: 1
+
+NH4:
+  monoFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/optics_NI.v2_5.nc4
+  bandFile: ExtData/chemistry/AerosolOptics/v1.0.0/x/opticsBands_NI.v2_5.RRTMG.nc4
+  tracers:
+    - NH4A
+  shapefactor: 1
+  rhod:
+    - 1725
+  pmconversion: 1

src/pyobs/xrctl.py

@@ -35,7 +35,7 @@ def open_mfdataset(paths,*args, time_range=None, lock=False, **kwargs):
     """
     from netCDF4 import Dataset # only needed for hack below
     opendap = False
-    compat = "no_conflicts" # variables of the same name should have no conflicts
+    compat = kwargs.pop('compat','no_conflicts')
     coords = "different"
     paths_ = paths
     if isinstance(paths,str):