Markov-Chain Monte Carlo reconstruction of Differential Emission Measures

Last modified: May 29, 2015

Differential Emission Measures (DEMs) are a simplified way to summarize the structure of a stellar corona. The DEM is a measure of the ``amount of material'' emitting at a given temperature, and is usually understood to be

DEM(T) = ne2 dV/dlnT [cm-3/lnK]
where ne is the electron number density and V is the volume occupied by the plasma. (For more information and details on the adopted units, see the section on units, Section 3.1.1 of the Users' Book.) Numerous assumptions and approximations go into the derivation and estimation of DEMs (see e.g., Kashyap & Drake 1998 and references therein). Here we simply note that care must be exercised during their derivation and error bars must be quoted at every opportunity in order to facilitate comparisons.

The primary method of reconstructing DEMs with PINTofALE is via the command-line function MCMC_DEM(), which runs a Markov-Chain Monte-Carlo algorithm on a set of line fluxes and returns an estimate of the DEM that generates observed fluxes.

Here we suggest a set of steps to prepare for and carry out this analysis. It will also give a rough overview of some MCMC_DEM() capabilities. The basic steps are:

  1. Choose a set of lines from which to derive the DEM
  2. Measure fluxes for these lines
  3. Prep the inputs for MCMC analysis
  4. Choose the manner of MCMC analysis
    1. Using line ratios
    2. On automatic deblending of lines
  5. Understanding the output
  6. Example code

Note: This guide requires the user to have a degree of familiarity IDL and some experience with PINTofALE routines (e.g., LINEID(), RD_LIST(), FITLINES()). For user guides to these and other PINTofALE routines, see the online documentation). We stress that because the intricacies of the processes outlined here lie at the very core of the science achieved, the preprocessing and analysis cannot be treated as, or transformed into, a black box. Any such oversimplification would severely limit the versatility, configurability, and useability of the MCMC_DEM() routine.

0. Calling sequence

The most general calling sequence is

See the documentation for a description of the variables.

1. Choose spectral lines for analysis

The first step in deriving a DEM is to identify a set of lines in the observed spectrum that have reliable atomic data, cover a broad range of temperatures, and have fluxes at high signal-to-noise ratio. This choice is quite critical and requires careful work, but a detailed discussion of this issue is beyond the scope of this article. Note that broad passbands can also be used as input to the program; see below for details.

PINTofALE lets users define a set of line identifications and create an IDL structure that contains all the relevant information. This type of structure contains all the quantities necessary to input to MCMC_DEM() (wavelengths, fluxes, emissivities). We will therefore use this structure as the basis of much of the preprocessing described here.

There are two ways to produce such a structure:

  1. run LINEID() on a spectrum and identify lines interactively as described in the online guide,
  2. specify the lines explicitly in an ASCII file and feed this to the procedure MUNGE_LIST. The format required of the ASCII file can is of the following form (also described in greater detail within the documentation for MUNGE_LIST()):
    -- one entry per line
    -- each observed wavelength and related IDs must be in a block of the form
    	/{ [sep] WVL [sep] FLUX [sep] FLUXERR
    	ELEMENT1 ION1 [sep] WAVE1 [sep] SOURCE1 [sep] DESCRIPTION1
    	ELEMENT2 ION2 [sep] WAVE2 [sep] SOURCE2 [sep] DESCRIPTION2
    	ELEMENTn IONn [sep] WAVEn [sep] SOURCEn [sep] DESCRIPTIONn
    	// human readable comments
    Note that ELEMENT above must be the atomic symbol due to a limitation in the subroutine zion2symb. That is, use "Fe 9" or "Fe IX", not "26 9".
    -- the beginning and ending "/{" and "/}" are required
    -- [sep] are field separators (e.g., tabs, "|"s, etc.)
    -- WAVE may be (any combination of):
    * exact match == "WVL"
    * inexact match == "WVL +- dW" or "WVL ? dW"
    * range == "WMIN,WMAX" or "WMIN-WMAX"
    -- DESCRIPTION is a set of space-separated keywords to be searched for through the electron-configuration and level-designation fields.
    * any field preceded by a "!" is excluded from the match

In the latter case, place the ID information in an ascii file (say 'line_list') and read it into the IDL environment with the command

	 munge_list, 'line_list', idstr	
where IDSTR is the ouput structure containing the ID information. To verify that the correct lines have been read into IDSTR, examine it with CAT_ID():
	 help, cat_id(idstr)	
Note that the fluxes included initially in the ID structure are theoretical values calculated for each line using a default flat DEM. These must of course be replaced with measured fluxes appropriate for the given observation.

2. Measure fluxes for ID'd lines

In order to measure line fluxes, PINTofALE provides a GUI front-end (FITLINES()) to fitting engines both in-house (FIT_LEVMAR) and external (MPFIT, IDL's native CURVEFIT). In order to easily set up the call to the GUI, PINTofALE has a program that casts the contents of IDSTR into a form suitable for input to FITLINES():

	 id_to_fitpar, idstr, pars,ties,thaw,pos=pos,wdt=wdt,$
	 lsfwdt=0.01,flx=flx,shackle = 'flux'  
This also automatically defines constraints among parameters (TIES) based on how they are to be constrained (SHACKLE; in the above example, the relative strengths of components in a multiply ID'd feature are held fixed), etc. See the documentation of ID_TO_FITPAR for a detailed description of the available options. Then, together with the spectrum under question (say wvlarr and countarr) FITLINES() can be used to measure the fluxes in individual lines:
	 fitstr = fitlines(wvlarr, countarr, pos=pos,wdt=wdt,flx=flx,$
The output of FITLINES() is an IDL structure that contains the best-fit parameters for each line along with associated errors, as well as some useful ancillary quantities. A cursory examination of the fields in fitstr is recommended.

Once the observed fluxes are measured, the theoretical fluxes first calculated for IDSTR (see above) must be replaced by these new values. The function UPDATID() can be used for this purpose. In the following, we first average the (possibly) asymmetric error bars from FITLINES() before overwriting IDSTR:

         idstr=updatid(idstr, fitstr.flx, fitstr.pos, flxerr=flxerr)
IDSTR now essentially contains all components necessary for running MCMC_DEM().

We can now proceed to consolidate the multiple IDs into single IDs with SQUISHEM(). (Note that this can also be done prior to the call to ID_TO_FITPAR if the intention is to fit unresolved multiplets with a single component).


4. Prepare the inputs for MCMC_DEM analysis

The following are essential inputs necessary to determine a DEM:

-- the wavelengths of the spectral lines being used
* assumed to be in [Å]
* can be obtained from IDSTR as
	wavelengths = idstr.WVL
-- the fluxes (and corresponding errors) of the spectral lines
* it is easiest for analysis if fluxes are given in [ph cm-2 s-1]. Other units are acceptable, but appropriate keywords must be set in the call and/or the units of the output DEM must be correctly interpreted.
* can be obtained from IDSTR as
	fluxes[iLAMBDA] = idstr.(iLAMBDA+1).FLUX
	flux_errors[iLAMBDA] = idstr.(iLAMBDA+1).FLUXERR
where i refers to the index of the feature.
* Warning: if the flux errors are not explicitly input, the program assumes that counts have been input and computes the Gehrels approximation to the 84% limit of a Poisson distribution. This is usually an incorrect assumption.
-- the emissivity of each of these lines as a function of temperature
* assumed to be 2D arrays of (Temperature,wavelength) in [10-23 ergs cm3 s-1], and are assumed to include ion balance but not element abundances. (If abundances are included, then forcibly set the atomic number to be Z=1)
* can be obtained from IDSTR as
	emissivity[*,iLAMBDA] = idstr.(iLAMBDA+1).EMIS
Note that a subset of lines can always be choosen from the complete list that is available in IDSTR. For instance, to select only Fe lines, one might do
	 idx_wvl = where(Z eq 26)	
or to select all lines except (say) the Ne IX line at 13.447 Å, do
	 idx_wvl = where(abs(wavelengths-13.447) gt 0.001)	
etc. Once a subset of lines are selected, other inputs must also be suitably filtered to match this set. One way to do this is to define a new ID structure using CAT_ID():
	 subIDSTR = cat_id(IDSTR,pick=idx_wvl)	
and then to extract the relevant arrays from it as before. (Note that it is necessary for idx_wvl to be an array; if it were a scalar, the output of cat_id() would include all the ID components except idx_wvl.) Another way is to filter each array individually, i.e.,
	 wavelengths = wavelengths[idx_wvl]
	 fluxes = fluxes[idx_wvl]
	 flux_errors = flux_errors[idx_wvl]
	 emissivity = emissivity[*,idx_wvl]
	 Z = Z[idx_wvl]

In addition, some secondary information may also be supplied via keywords (if not supplied, default values are used -- see the documentation for details):

-- atomic number of the line
* if the emissivities have already been multiplied by element abundances, or if a continuum data point is being used, explicitly set this to 1 for the relevant lines.
* can be obtained from IDSTR as
	Z = idstr.(iLAMBDA).Z
-- upper limits flag
* it is possible to include upper limit information in the analysis to place constraints on the DEM. To do so, set the keyword ulim to an integer array of the same size as the wavelengths, populated with 0s where fluxes are measured and 1s where they are not. A simple Theta-function is used in the likelihood to account for these constraints.
-- line ratios
* some authors have used the abundance-independent method of using ratios of H-like to He-like fluxes to derive a DEM; in such cases, the relevant ratios are constructed internally within MCMC_DEM() according to the rules specified by the keyword onlyrat.
* see below for usage details.]
-- smoothing
* Because a DEM reconstruction problem involves a Fredholm integral of the First Kind, the solution is subject to high-frequency instability and non-uniqueness. Further, it is often the case that there are more temperature grid points (see below) than there are lines with measured fluxes. For these reasons, a smoothness constraint is absolutely essential.
* By default, MCMC_DEM() uses a set of scales derived from the width of the individual emissivity functions to locally smooth the DEM. The magnitude of the scales can be changed by a factor supplied as the keyword smoot.
-- smoothing scales
* Alternative smoothing scales may also be specified via the keywords
smooscl to explicitly specify a new set of scales
loopy to use RTV type loop DEMs at each temperature
spliny to use splines
-- temperature grid
* MCMC_DEM() defines temperature grid of the reconstructed DEM to be the grid on which the emissivities are defined. For this reason, one may wish to rebin and resample the emissivity arrays in accordance with the desired log T grid for the output DEM. We can do this using REBINX() as follows:
   	newlogt = 6.4+findgen(17)*0.1
   	newemis = rebinx(emis,!logt, newlogt)
In this meta-script example, the following call to MCMC_DEM() will run an MCMC reconstruction using the selected line set.
	adem = mcmc_dem(wavelengths,fluxes,newemis,fsigma=flux_errors,$

NOTE:- Broad passband filter responses can also be used as input for the DEM reconstruction. The simplest means to do this is to use the command licospec to compute a summed emissivity that can then be treated exactly as the emissivity of a single line. Effective areas can also be included. Abundances of course cannot be changed once defined and the accumulated emissivities are computed and in fact, the atomic number for this "fake line" must be set to 1 to avoid introducing spurious normalization errors.

4.A Using line ratios

For an abundance independent reconstruction, one may use the keyword onlyrat to specify flux ratios. This must be an array of the same size as the input fluxes, with each element specifying which part of the ratio the particular flux ends up at, and an identifier specifying which ratio it is associated with. For example, if we had an array named fluxes with (say) 6 elements, and wished to construct two ratios using the last 4 elements,

	 ratio1 = fluxes[2]/fluxes[4]	
	 ratio2 = (fluxes[5]-fluxes[3])/(fluxes[2]+fluxes[3]+fluxes[5])	
then one would define the keyword onlyrat as the array (note the empty strings to denote elements of fluxes that should not be transformed into ratios):
	 onlyrat = ['', '', '+N1,+D2', '-N2', '+D1,+D2', '+N2,+D2']	
The above construct (note that the "+" and "-" symbols are required) would result in the creation and use of the array
	 [fluxes[0], fluxes[1], ratio1, ratio2] .	
An abundance independent reconstruction however, may also need a normalizing component, i.e., the flux ratios will contain information about the shape of the DEM but not the overall level. If no abundances are determined for the object under question (in order to use a line flux for normalization) one may choose to use a continuum measurement for the normalization. A crude continuum measurement can be obtained directly from the spectrum by summing the counts within a line free spectral region. We choose, for example, the range 2.4 angstroms to 3.4 angstroms and: One can first verify visuallay that the chosen region is in fact line free:
	 plot, wvlarm, countarr, xr=[2.4,3.4]	
And then use LICOSPEC() to see if pseudo-continuum can become important:
	 ll = where(wvlarm ge 2.4 and wvlarm le 3.4)
	 wgrid = mid2bound(wvlarm) ; assuming wvlarm doesn't contain bin-boundary varlues
	 lrf=0.02 & type='beta=2.5'
	 plot,wgrid,lspec/cspec,/ylog, xtitle='wavelength[Ang]',ytitle='line-to-continuum'
Get the indices of the array elements within the region and filter at the 5% level.
	 oo = where((lspec/cspec) lt 0.05)	
Sum the counts to get a continuum measurement
	 tmp = countarr[ll]
	 contflx = total(tmp[oo])
Continuum emissivity information is contained in the LICOSPEC() keyword CONSTR. Setting the keyword LCTHR to 0.05 told LICOSPEC() to return a consolidated emissivity filtered in wavelength space at the 5% (lspec/cspec) level. The CONSTR emissivity is given in ergs cm^3/s/Ang so we need only multiply by the size of the wavelength range:
         conemis0 = constr.CONT_INT*(max(wgrid)-min(wgrid))

and then rebin to our desired log(T) grid.

         conemis = rebinx(conemis0,!logt, newlogt)
Then concatenate the appropriate continuum quantities to our previously defined input arrays.
         fluxes = [fluxes,contflx] 
	 fluxerrs = [fluxerrs,1+sqrt(0.75+contflx)]
	 wavelengths = [wavelengths,2.8] 
	 emissivity = [emissivity,conemis] 
Now we are ready to call MCMC_DEM() for an abundance independent DEM reconstruction using line ratios and a continuum measurement for normalization:
         adem = mcmc_dem(wavelengths,fluxes,newemis,z=z,logt=newlogt,fsigma=flxerrs,onlyrat=onlyrat) 

4.B On automatic deblending of lines

The PINTofALEroutine MIXIE() identifies line-blends and calculates correction factors for a given set of interesting lines. The correction factor is defined as follows: CORRECTION FACTOR = INT /(INT + total contributions from blends) where INT = intensity of interesting line MIXIE() takes as input a RDLIST() or RD_LINE() style structure,LSTR, containing line information (emissivity, theoretical wavelength, atomic number, ionic number, etc) of the line(s) for which a correction factor is to be calculated. Given such a structure, it will proceed to identify possible contaminants and contribution fractions by assuming Gaussian line profiles of width a specified with keyword LWDT. For example:

         Ne9   = rd_list('Ne9 [13.44,13.45]',/incieq)
         factor = mixie(Ne9,lwdt=0.008, mixstr = mixstr)
         print, factor 
The keyword MIXSTR will contain information about each contaminant. To print ID information of each contaminant for example:
	      print, mixstr.idtag 
         FeXIX       13.4640 $CHIANTI 3S_1 2p3(2D).3d - 3P_2 2s2.2p4
	 FeXIX       13.4246 $CHIANTI 1F_3 2p3(2D).3d - 3P_2 2s2.2p4
	 FeXIX       13.4620 $CHIANTI 3D_1 2p3(2D).3d - 3P_0 2s2.2p4
For more details, please see MIXIE() documentation and examples. A user may specify MCMC_DEM() to call MIXIE() for every DEM realization so that each theoretical flux evaluated by MCMC_DEM() will include a blending correction. If there are no multiplets within the line list used to run MCMC_DEM(), then one may simply toggle de-blending in MCMC_DEM() with the MIXSSTR keyword.
         adem = mcmc_dem(wvls,flxs,emis,fsigma=flxerrs,onlyrat=onlyrat, mixsstr = 1)
When dealing with multiplets however, using the de-blending feature in MCMC_DEM() becomes slightly more tricky. To fit largely unresolved multiplets in FITLINES(), one has the choice of either A) fitting the multiplet with one profile, or B) fitting each multiplet component separately with their own profiles. If A) then, when running MIXIE() to find a correction factor for your modeled flux, you need to tell MIXIE() to consider the lines as a multiplet. i.e you need to tell it what lines in LSTR belong to the multiplet. This can be achieved through the MPROXY keyword. Using the MPROXY scheme, one component of the multiplet is to stand proxy for the rest. See the MIXIE() documentation for details. Here is an example of a correction factor calculation of an NVII triplet whose flux was modeled using one component:
         N7  = rd_list('N7 [24.77,24.79]',/incieq)
	 mproxy = [['2','NVII 24.78470 $CHIANTI  (1s) 2S_1/2 (2p) 2P_1/2'], $ 
                  ['2','NVII 24.7844 $CHIANTI (1s) 2S_1/2 (2s) 2S_1/2']]  
         factor = mixie(N7,lwdt=0.01, lthr = 1e-5, mproxy=mproxy)  
	 print, factor
IF B) then, when running MIXIE() to find a correction factor for you modeled fluxes, you need to tell MIXIE() that the blends between multiplets have already been accounted for by the fitting process. This can be done via the keyword MPLET, which explicitly tells what lines MIXIE() is to leave out of the correction factor calculations of each interesting line. Here is an example of an SiXIV whose flux was modeled using a profile for each doublet component:
         SiXIVstr = ['SiXIV|6.18040|$CHIANTI|2P_3/2 2p - 2S_1/2 1s', $
                     'SiXIV|6.18580|$CHIANTI|2P_1/2 2p - 2S_1/2 1s']
         SiXIV = rd_list(SiXIVstr,sep = '|') 
	 mplet = [['0','SiXIV 6.18580 $CHIANTI 2P_1/2 2p - 2S_1/2 1s'],$ 
                  ['1','SiXIV 6.18040 $CHIANTI 2P_3/2 2p - 2S_1/2 1s']] 
	 factor1 = mixie(SiXIV,lwdt=0.01, lthr = 1e-5)
	 factor2 = mixie(SiXIV,lwdt=0.01, lthr = 1e-5, mplet=mplet)     
	 print, factor1, factor2
	 0.937860     0.790065
         0.998771     0.994480 
If for example, both the NVII triplet and the SXIV doublet above were to be used in a DEM reconstruction, and there fluxes were modeled as described, then a call to MCMC_DEM() would look like:
         adem = mcmc_dem(wavelengths,fluxes,newemis,z=z,fsigma=flxerr,onlyrat=onlyrat,$
The keywords MPROXY and MPLET will get passed on the MCMC_DEM()'s subroutine MIXIE(). IMPORTANT NOTE: When using the deblending feature in MCMC_DEM(), the LSTR input structure to subroutine MIXIE() is constructed by MCMC_DEM() using the the input wavelengths, emissivities, and atomic numbers. Because the ionic species and the transition information are not available, the line in question will not alwaysbe uniquely specified, and MIXIE() will not be able to discount the line as a blender, (i.e. MIXIE() will identify the interesting line itslef as a blender). To avoid this, one must simply include the line in question (the proxy) as a MPROXY entry. Failiure to do so will yeild incorrect results. When using a large set of lines, preparing the MPLET and MPROXY keywords can be a tedious task. For this reason, the MPROXY keyword has been added as an output keyword to SQUISHEM(), and the MPLET keyword has been added as an output keyword to CAT_ID(). The MPLET and MPROXY keywords are automatically constructed in these routines using the input ID structure information.

5. Making sense of the output

The first step towards making sense of MCMC_DEM output is to ensure that all quantities required are saved in an IDL save file for future reference. If the MCMC_DEM keyword SAVFIL is set to a filename, e.g., '', MCMC_DEM will save all relevant quantities (this includes all parameters and keywords) to a save file ''. For example:
         PoA> savfil = ''
         PoA> adem = mcmc_dem(wvls,flxs,emis,fsigma=flxerrs,onlyrat=onlyrat,$
                              mixsstr = 1, mproxy=mproxy,mplet=mplet,savfil=savfil)
There are a couple of things you should do immediately to verify that the output is not worthless. The first is to plot the trace of the log(likelihood) from each iteration:
         PoA> restore,savfil & plot,simprb	
If the simprb array looks like it has settled into an equilibrium state, with apparently random jumps with a definite minimum, that is good, your solution has converged and the iterations are sampling from the posterior probability distribution. If instead it looks as though it is still asymptotically reaching equilibrium, or if there are long stretches of flat lines, then you are out of luck and will have to look into tweaking the various knobs (such as smooscl, sampenv, demrng, etc). Next, check to see whether the "best-fit" solution is a reasonable fit by seeing what its chi-square value is:
         PoA> print,2*simprb[nsim]	
Note that simprb is not always a proxy for the chisq statistic, especially if upper limits are present or keywords like /poisson are set. But in many cases this could be a good approximation and is worth the check. Because the chisquare statistic is a measure of the goodness-of-fit (when applicable, and please do keep in mind that often it is not applicable!) you should obtain chisq values roughly of the order of the number of data points. (The number of degrees of freedom is usually the number of supplied fluxes [less the number of upper limits], minus the effective number of temperature bins nueff. The effective number of temperature bins must be computed for the adopted smooscl array because smoothing scales vary across the temperature range:
         PoA> jnk=varsmooth(fltarr(nT),lscal,nueff=nueff) & print,nueff	
Note that you should ensure that nueff is less than the number of data points in order that the fit be meaningful, since it is effectively the number of independent parameters in a putative DEM model. If it is higher than the number of data points, then adjust the keywords smooscl and smoot until it is.)

PINTofALE offers two auxiliary procedures to MCMC_DEM() that aid the user in interpreting its results:

  1. MCMC_PLOT is a plotting routine tailor made for plotting MCMC_DEM() results. The following inputs are required:

    -- logt as described above, is the temperature grid of the reconstructed DEM
    -- simdem (MCMC_DEM keyword simdem)
    * an array of size (NT,NSIM+1) containing all the sampled DEMS with the last column containing the bestfit.
    * NT is the number of temperature bins on which the DEM is defined and
    * NSIM is the number of simulations done to sample the DEM parameter space.
    -- demerr confidence bounds on MAP estimates of DEM
    * DEMERR(*,0) are lower bounds, DEMERR(*,1) are upper bounds
    -- simprb the P(D|M) of each simulated DEM
    -- schme a string specification for one of the eight available visualization schemes

    MCMC_PLOT is essentially a wrapper routine for IDL's native PLOT routine, which interpretes, filters, and organizes the quantities LOGT,SIMDEM,DEMERR and SIMPRB according to pre-set visualization schemes specified by SCHME to allow users to explore the complicated parameter space sampled by the MCMC_DEM routine. If any PLOT keywords are set when calling MCMC_PLOT (e.g.), these will by passed to PLOT via IDL's _extra keyword inheritance mechanism.

    To use MCMC_PLOT, begin by restoring an MCMC_DEM save file. Here, I use an MCMC_DEM analysis preformed on a synthetic spectrum for which a DEM was defined a priori (Lin,Kashyap & Drake 2004)
       PoA> restore, '' 
    double check the required quantities are present:
       PoA> help, logt,simdem,demerr,simprb
            LOGT            FLOAT     = Array[27]
            SIMDEM          DOUBLE    = Array[27, 501]
            DEMERR          DOUBLE    = Array[27, 2]
            SIMPRB          FLOAT     = Array[501]
    Now to make a simple plot, say, just displaying the best simulation DEM and error bars from DEMERR (using SCHME 'ERRBAR'):
       PoA> mcmc_plot,logt,simdem,demerr,simprb,'ERRBAR'
            % LOADCT: Loading table B-W LINEAR

    And to customize using PLOT keywords:
       PoA> mcmc_plot,logt,simdem,demerr,simprb,'ERRBAR',$
                 yr = [1e10,1e14],title='My MCMC DEM Results'
            % LOADCT: Loading table B-W LINEAR

    If one uses 'INDEX' , then each simulation value in each bin is plotted and assigned a color corresponding to its index if counting from the best simulation outwards. Colors are polyfilled between simulated values. Here we set keyword COL_TABL =1 to choose a BLUE/WHITE color table (see IDL documentation to find other color tables):
     PoA> mcmc_plot,logt,simdem,demerr,simprb,'INDEX',/yl, yr = [1e10,1e14],col_tabl=1
    % LOADCT: Loading table BLUE/WHITE 

    By default, if using a SCHME other than 'ERRBAR', the best 50 % simulated values (according to SIMPRB) are plotted. The CLEV keyword may be used to toggle the percentage cutoff. The SLECT keyword may be set to 1 to include all simulations or set to 3 to include simulations that fall within bounds set by DEMERR. (SLECT = 2 and CLEV = 50 are default values). If one uses SCHME 'NICE', a median simulation value is calculated for each bin. The median values will be plotted (dotted line) together with the DEM simulation that best fits them (solid line). Uncertainty will be displayed by plotting the minimum and maxim simulation values for each bein (dashed lines). In this example we use SLECT = 3.
     PoA> mcmc_plot,logt,simdem,demerr,simprb,'NICE',/yl, yr= [1e10,1e14], slect=3
          % LOADCT: Loading table B-W LINEAR

  2. MCMC_ABUND uses MCMC_DEM results to calculate fractional abundances relative to solar values (Grevesse & Sauval 1998). Note that this function is to be used for abundance-independent DEM-reconstructions i.e. those for which flux ratios are used. The following parameters are required:

    -- simdem (MCMC_DEM keyword simdem)
    * an array of size (NT,NSIM+1) containing all the sampled DEMS with the last column containing the bestfit.
    * NT is the number of temperature bins on which the DEM is defined and
    * NSIM is the number of simulations done to sample the DEM parameter space.
    -- logt as described above, is the temperature grid of the reconstructed DEM
    -- wvl wavelengths [Ang]
    -- flx flux [ph/s] at each WVL ([ph/s/cm^2]
    -- fsigma errors for flx
    -- z atomic numbers of the elements generating the lines at WVL.
    -- asig on output, contains the errors in the weighted mean abundances
    -- zout on output, atomic numbers corresponding to output abundances

    The following keywords are accepted:

    -- elogt log_10(Temperature[K]) at which EMIS are defined if different from logt
    -- nosol if set, then output abundances will not be relative to solar
    -- olog if set, outputs abundances and asig will be logarithmic values.
    -- crctn_factor if set, correction factor is applied to theoretical fluxes before calculation of abundnaces

    To caclulate weighted mean abundances for the elements used in the DEM reconstruction:
      PoA> restore, ''
      PoA> wtd_mean_abund=mcmc_abund(simdem,logt,wvl,flx,fsigma,emis,z,asig,zout)
    To calculate weighted mean abundances for all the elemnts contained in the ID structure, first get the required feilds from the ID structure (see Prep the inputs for MCMC analysis above):
      PoA>	wavelengths = idstr.WVL
      PoA>  fluxes[iLAMBDA] = idstr.(iLAMBDA+1).FLUX
      PoA>  flux_errors[iLAMBDA] = idstr.(iLAMBDA+1).FLUXERR
      PoA>  emissivity[*,iLAMBDA] = idstr.(iLAMBDA+1).EMIS
      PoA>	Z = idstr.(iLAMBDA).Z
    and then restore the MCMC_DEM save file and then call MCMC_ABUND with the elogt keyword set to the temperture grid on which ID structure emissivities are defined (usually PoA default !LOGT):
      PoA>  restore, ''
      PoA>  wtd_mean_abund=mcmc_abund(simdem,logt,wavelengths,fluxes,flux_errors,$
    To use these abundance values to say, calculate a synthetic spectrum using PINTofALE (e.g. see Simulating Chandra ACIS spectra, Simulating Chandra HETGS MEG spectra of density sensitive O VII lines and Simulating XMM EPIC-pn, EPIC-mos, and RGS spectra), first use MCMC_ABUND with the NOSOL keyword set to get absolute abundances (not relative to solar):
      PoA>  restore, ''
      PoA>  wtd_mean_abund=mcmc_abund(simdem,logt,wavelengths,fluxes,flux_errors,$
    then get a PINTofALE style abundnace array using from GETABUND() (where z = INDEX-1):
      PoA>  abund=get_abund('grevesse & suval') 
    and replace the abundnaces for the elements for which you have values::
      PoA>  abund(zout-1) = wtd_mean_abund 

6. Example code

The following is an example code which follows the steps 1-4 of this guide. The code assumes the follwing quantities are defined:
-- a counts array countarr [cts/bin] defined on wavelength grid wvlarr [Ang]
-- an effective area arrary effar [cm^2] on wvaelength grid awvlarr [Ang]
-- an ascii list line_list as described above (Choose a set of lines from which to derive the DEM)
;      1. Choose spectral lines for analysis 
  munge_list, 'line_list', idstr, rdlnlst

;      2. Fitting our chosen set of lines
  id_to_fitpar, idstr,pars,ties,thaw,pos=pos,wdt=wdt,lsfwdt=lsfwdt,$
               flx=flx,epithet = epithet

  fitstr = fitlines(wvlarr,countarr,pos=pos,wdt=wdt,$
  save, fitstr,filename = '' 
; restore, '',/v

;      3. Update the ID structure with fit information 
  flxerr = (fitstr.ferrp+fitstr.ferrm)/2
  idstr  = updatid(idstr, fitstr.flx, fitstr.pos, flxerr=flxerr) 

;      consolidate multiplets and prepare mproxy keyword 
  idstr = squishem(idstr, mproxy=mproxy) 
;      4. Preparing MCMC_DEM() input arrays 
  nl = n_elements(idstr.wvl) 
  flxs = fltarr(nl) & flxerrs = fltarr(nl) & wvls = fltarr(nl) 
  emis = fltarr(n_elements(idstr.(1).logt),nl) & zs = fltarr(nl) 

  for j = 1, nl do flxs(j-1) = idstr.(j).flux 
  for j = 1, nl do flxerrs(j-1) = idstr.(j).fluxerr 
  for j = 1, nl do wvls(j-1) = idstr.(j).wvl 
  for j = 1, nl do emis(*,j-1) = idstr.(j).emis 
  for j = 1, nl do zs(j-1) = idstr.(j).z 

  newlogt = 6.2+findgen(17)*0.1
;      4.A Using line ratios
  ll = wvlarr(where(wvlar gt 2.4 and wvlar lt 3.4))  
  wgrid = mid2bound(wvlarm) 
  lcthr = 0.05, constr=constr, lrf=lrf,type=type,LEMIS=LEMIS,CEMIS=CEMIS
  oo = where(lspec/cspec lt 0.05)
  tmp = countarr[ll]
;      filter at the 5 % level 
  contflx = total(tmp(oo)) & contflxerr = 1+sqrt(0.75+contflx0)  

;      get the continuum measurement and error
  conemis = constr.cont_int*(max(wgrid)-min(wgrid))
  conemis = rebinx(conemis, !logt, logt) & avgwvl0 = constr.midwvl 

;      add the appropriate continuum quantities to our previously defined input arrays.
  fluxes      = [fluxes,contflx] 
  fluxerr     = [flxerrs,contflxerr]
  wavelengths = [wavelengths,2.8] 
  emissivity  = [emissivity,conemis] 
  z           = [z,1] 
  newemis = rebinx(emissivity,!logt, newlogt)

;      fold effective areas 
  for j = 0, n_elements(fluxes) - 1 do $
      fluxes(j) = fluxes(j)/effar(where(hastogram(wavelengths(j),awvlarr) eq 1))
  for j = 0, n_elements(fluxes) - 1 do $
      fluxerr(j) = fluxes(j)/effar(where(hastogram(wavelengths(j),awvlarr) eq 1))

;      4.B Automatic deblending of lines 

;      turn on automatic deblending of lines by setting MIXSSTR = 1 
   MIXSSTR = 1 

;      set MPROXY keyword (which may or may not be from SQUISHEM, here we asume it is) 

;      5. Now a call to MCMC_DEM() 
  adem = mcmc_dem(wavelengths,fluxes,newemis,z=z,fsigma=flxerr,onlyrat=onlyrat,$

pintofale() (LL)