DataSet format specification

A PacBio DataSet is an XML file representing a set of a particular sequence data type such as subreads, references or aligned subreads. The actual data elements contained in a DataSet are stored in files referred to by the XML, usually in FASTA or BAM files. The DataSet can optionally filter these files or store metadata about their contents.

Version

This document defines the 4.0.1 SMRT Link DataSet abstraction and its XML file representation. The 4.0.1 format is produced by the 10.0.0 release of PacBio Primary Analysis and SMRT Link software.

Motivating Use Cases

The concept of a homogenous set of elements of a particular data type is used throughout Pacific Biosciences software. These “sets of data” have historically been represented in different ways, sometimes explicitly by creating large files that contain all the data in the set (e.g. a FASTA file of subreads), and sometimes implicitly by using pointers to the data, such as with a FOFN (file of file names).

In many cases these solutions are serviceable, but they have disadvantages. The reliance on explicit file creation imposes a heavy burden that will be exacerbated by future instrument throughput increases. The FOFN partially breaks the tight coupling between explicit files and sets of data, but it fails to allow facile subsetting of files. With previous methods, consuming tools were forced to reimplement filtering or subsetting logic in their own idiosyncratic ways.

The DataSet XML abstraction (or DataSet for short) addresses these problems by providing a standard way to perform the following activities:

  • Refer to a set of subreads in multiple BAM files
  • Refer to a subset of subreads by id from one or more BAM files
  • Refer to a subset of alignments for input to algorithms such as Arrow (e.g. on a particular chromosome, or a particular chromosome region)
  • Perform any analysis that can be performed on an entire file of a particular data type (subreads, alignments) on a subset of that data type without creating a new file.

Format Definition

XML Representation

The canonical representation of a DataSet is an XML file that contains a single DataSet element with four major sections, one mandatory and three optional:

  1. A mandatory <pbbase:ExternalResources> section with references to external data sources in BAM or FASTA format and their associated indices or metadata files. The records in these files are the elements of the set of data represented by the DataSet.
  2. An optional <pbds:Filters> section that filters or subsets the elements of the set in the above files, for example by length.
  3. An optional <pbds:DataSetMetadata> section that contains metadata about the DataSet, usually at minimum the number of records and their total length, but possibly much more. For example, subread and CCS read DataSets have metadata regarding instrument collection or biological samples. The Metadata section should be considered to refer to the DataSet elements prior to applying Filters.
  4. An optional <pbds:DataSets> section that can be used to annotate subsets of the top-level DataSet. For example, a DataSet that resulted from merging multiple DataSets can store a record of the original DataSets in this section, along with their original metadata.

Types of DataSets

The DataSet XSD defines DataSet subclasses for the most common entities consumed and produced by SMRT Analysis pipelines:

  • SubreadSet - This type of DataSet represents the basic sequence data generated by the Sequel instrument,
    with ExternalResource’s in BAM format. Note that the prefix “Sub” in this case is part of “Subread”, and does not in any way denote a “subset”.
  • ConsensusReadSet - CCS sequence data in BAM format.
  • AlignmentSet - Aligned reads in BAM format.
  • ConsensusAlignmentSet - Aligned CCS data in BAM format.
  • ReferenceSet - The FASTA reference and associated indices used by Resequencing and Base Mods. Replaces the reference repository entries.
  • GmapReferenceSet - A FASTA ReferenceSet with a GMAP database.
  • ContigSet - Any FASTA containing contigs, e.g. those produced by HGAP.
  • BarcodeSet - The FASTA file and metadata used by barcode detection.
  • TranscriptSet - Processed RNA transcripts in BAM format.
  • TranscriptAlignmentSet - Processed and aligned RNA transcripts in BAM format.

SubreadSet example

Here is a simple example of a DataSet XML using a SubreadSet containing all four sections. It creates a set of subreads from two subread BAM files and associated indices and filters the subreads by quality using the rq field of the underlying BAM records:

<?xml version="1.0" encoding="utf-8"?>
<pbds:SubreadSet
    xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbsample="http://pacificbiosciences.com/PacBioSampleInfo.xsd"
    xmlns:pbmeta="http://pacificbiosciences.com/PacBioCollectionMetadata.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="subreadset_150304_231155"
    MetaType="PacBio.DataSet.SubreadSet"
    Name="DataSet_SubreadSet"
    Tags=""
    Version="4.0.1"
    CreatedAt="2015-01-27T09:00:01">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5193"
            TimeStampedName="subread_bam_150304_231155"
            MetaType="PacBio.SubreadFile.SubreadBamFile"
            ResourceId="m150404_101626_42267_s1_p0.1.subreads.bam">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5194"
                    TimeStampedName="bam_index_150304_231155"
                    MetaType="PacBio.Index.PacBioIndex"
                    ResourceId="m150404_101626_42267_s1_p0.1.subreads.bam.pbi"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>
        <pbbase:ExternalResource
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5197"
            TimeStampedName="subread_bam_150304_231155"
            MetaType="PacBio.SubreadFile.SubreadBamFile"
            ResourceId="m150404_101626_42267_s1_p0.2.subreads.bam">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b096d0a3-94b8-4918-b3af-a3f81bbe5198"
                    TimeStampedName="bam_index_150304_231155"
                    MetaType="PacBio.Index.PacBioIndex"
                    ResourceId="m150404_101626_42267_s1_p0.2.subreads.bam.pbi"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>
    </pbbase:ExternalResources>
    <pbds:Filters>
        <pbds:Filter>
            <pbbase:Properties>
                <pbbase:Property Name="rq" Operator="gt" Value="0.80"/>
            </pbbase:Properties>
        </pbds:Filter>
    </pbds:Filters>
    <pbds:DataSetMetadata>
        <pbbase:TotalLength>5000</pbbase:TotalLength>
        <pbbase:NumRecords>500</pbbase:NumRecords>
    </pbds:DataSetMetadata>
</pbds:SubreadSet>

Operations on DataSets

DataSets support operations that would naively be expected of sets, such as subsetting and union (although notably not intersection) as well as some additional operations such as consolidation. The result of performing these operations is itself a new DataSet, with the operations included as a kind of “recipe” for producing the new DataSet from the original. Because of this, operations are presented here as part of the DataSet format.

Subsetting (Filtering)

The SubreadSet example given above is the result of applying a length subset or Filter operation on a DataSet of two BAM files (e.g. by applying the dataset command).

Each Filter is composed of Property tags representing logical predicates that elements of the DataSet must satisfy. Property tags are defined by three attributes: Name, Operator and Value, where the Name refers to a field or derived value from individual DataSet records, and the Operator is used to compare a particular record’s field with the Value attribute. Individual Filter tags can be combined to create more complicated filters; these Filter tags are logically “ORed” while individual Property tags within a Filter are “ANDed” together.

In summary, the Filter and Property tags provide a powerful means of subsetting DataSets without manipulating the underlying file representations.

Filter Property Names and Values

The following table shows Property Name’s that are supported by either the pbbam C++ API, the pbcore Python API (italicized) or both (bold). Some accepted alternative ways of representing a Property are given in the Alternative Names column. Those Property’s that allow list values in both pbbam and pbcore are indicated by brackets. Finally, the right column shows the allowed type of Property Value associated with that particular Property Name.

Property Name Description Alternative Names Value
readstart Alignment start astart as uint32_t
ae Alignment end aend uint32_t
alignedlength Alignment length   uint32_t
accuracy Alignment identity identity float
qname Query name qid string
qstart Query start qs int
qend Query end qe int
length Query length querylength int
rname Reference name   string
tstart Reference start ts pos uint32_t
tend Reference end te uint32_t
qname_file Query names from a file   filename
rq Predicted read quality   float
movie Movie name (e.g. m150404_101626_42267_s1_p0)   string
zm ZMW (e.g. m150404_101626_42267_s1_p0/100) zmw string[]
bc Barcode name barcode string[]
bcq Barcode quality bq uint8_t
bcf Barcode forward   string[]
bcr Barcode reverse   string[]
cx Local context (see below for special Values)   see below
n_subreads Number of subreads   int
mapqv Mapping quality   int
Filter Property Operators

The following table shows supported Property Operator’s:

Property Operator Description Other Names
== Equal to = eq
!= Not Equal to ne
< Less Than lt &lt;
<= Less than or equal to lte &lt;=
> Greater than gt &gt;
>= Greater than or equal to gte &gt;=
& Contains and
~ Does not contain not
Possible cx Values

The following table shows Values’s that are supported for the cx local context Property Name. The Value’s can be used individually or can be combined to form a compound Value using a syntax that looks and behaves similarly to OR-ing bitflags, e.g.:

Value='ADAPTER_BEFORE | ADAPTER_AFTER'
cx Value Description
NO_LOCAL_CONTEXT No local context (e.g. adapters or barcodes)
ADAPTER_BEFORE An adapter was detected before (5’ to) the subread
ADAPTER_AFTER An adapter was detected after (3’ to) this subread
BARCODE_BEFORE A barcode was detected before (5’ to) this subread
BARCODE_AFTER A barcode was detected after (3’ to) this subread
FORWARD_PASS Subread is forward on the polymerase read
REVERSE_PASS Subread is forward on the polymerase read
Filtering and the pbi

The subsetting/filtering operation is supported efficiently by the PacBio index (*.pbi files). The contents of DataSet after applying Filter’s should in general be decidable using the contents of the pbi file (rname is the one exception in 4.0 and requires examination of the BAM file header).

Union (Merging)

Unions can be taken of DataSets with the same underlying file type (noted by the MetaType attribute) and with identical Filter’s. The output of a union (or merge) operation is a single new DataSet XML file containing a single new top-level DataSet element–notably not multiple top-level elements. For example, the SubreadSet above could be created by taking the union of two SubreadSets each containing a single BAM file:

<pbds:SubreadSet xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource MetaType="SubreadFile.SubreadBamFile"
                           ResourceId="file:/mnt/path/to/subreads0.bam"/>
    </pbbase:ExternalResources>
    <pbds:Filters>
        <pbds:Filter>
            <pbbase:Properties>
                <pbbase:Property Name="rq" Operator="gt" Value="0.75"/>
            </pbbase:Properties>
        </pbds:Filter>
    </pbds:Filters>
    <pbds:DataSetMetadata>
        <pbbase:TotalLength>3000</pbbase:TotalLength>
        <pbbase:NumRecords>300</pbbase:NumRecords>
    </pbds:DataSetMetadata>
</pbds:SubreadSet>


<pbds:SubreadSet xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource MetaType="SubreadFile.SubreadBamFile"
                           ResourceId="file:/mnt/path/to/subreads1.bam"/>
    </pbbase:ExternalResources>
    <pbds:Filters>
        <pbds:Filter>
            <pbbase:Properties>
                <pbbase:Property Name="rq" Operator="gt" Value="0.75"/>
            </pbbase:Properties>
        </pbds:Filter>
    </pbds:Filters>
    <pbds:DataSetMetadata>
        <pbbase:TotalLength>2000</pbbase:TotalLength>
        <pbbase:NumRecords>200</pbbase:NumRecords>
    </pbds:DataSetMetadata>
</pbds:SubreadSet>

Tools that merge multiple DataSets together can optionally store the original input DataSets in the DataSets tag of the output DataSet. In this way the original DataSets are maintained as “subdatasets” of the new DataSet. Merging tools should adhere to the following best practices:

  • Subdatasets should be created for each input DataSet when two or more files with no subdatasets are merged or used to create a new DataSet.
  • If in the process of merging a new DataSet is created, for example, wrapping a “naked” BAM file, a subdataset should be created for those inputs.
  • In no case should a subdataset be present if it is identical to the containing DataSet.
  • Subdatasets should be preserved when two datasets with subdatasets are merged together.
  • If both have subdatasets, the lists of subdatasets should be concatenated.
  • If one has no subdatasets, a subdataset should be created for that input and added to the list of subdatasets from the other input file.
  • Subdatasets should be preserved during minor manipulations: Adding a filter, changing path absoluteness, adding or removing indices, references etc.
  • Subdatasets should be removed during substantial transformations: alignment, producing an AlignmentSet from a SubreadSet.
  • Subdatasets should be preserved during consolidation or splitting (except when splitting by subdataset).

Consolidating

Consolidating (aka Resolving) a DataSet means creating an explicit representation in the appropriate format with all filters applied. In practice, this means building a single BAM file containing all the records implied by the DataSet’s ExternalResource and Filter directives. Here is consolidated version of the SubreadSet above:

<?xml version="1.0" encoding="utf-8" ?>
<pbds:SubreadSet xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            MetaType="SubreadFile.SubreadBamFile"
            ResourceId="file:/mnt/path/to/subreads0_plus_subreads1.bam"/>
    </pbbase:ExternalResources>
    <pbds:DataSetMetadata>
        <pbbase:TotalLength>5000</pbbase:TotalLength>
        <pbbase:NumRecords>500</pbbase:NumRecords>
    </pbds:DataSetMetadata>
</pbds:SubreadSet>

Consolidated DataSets are useful for export of a DataSet that exists only implicitly, e.g. by filtering multiple files. They allow the user to incur the IO overhead of seeking over multiple files once at the cost of increased disk usage.

DataSet MetaTypes and File Extensions

The following table lists the DataSet subclasses defined by the XSD and their associated MetaType values and expected filename suffix strings. While technically the information conveyed by the MetaType and suffix is redundant, it is useful for some downstream consuming tools, and to be fully compliant with this specification all three should be consistent.

DataSet DataSet MetaType DataSet XML File Extension
SubreadSet PacBio.DataSet.SubreadSet .subreadset.xml
HdfSubreadSet PacBio.DataSet.HdfSubreadSet .hdfsubreadset.xml
AlignmentSet PacBio.DataSet.AlignmentSet .alignmentset.xml
BarcodeSet PacBio.DataSet.BarcodeSet .barcodeset.xml
ConsensusReadSet PacBio.DataSet.ConsensusReadSet .consensusreadset.xml
ConsensusAlignmentSet PacBio.DataSet.ConsensusAlignmentSet .consensusalignmentset.xml
ContigSet PacBio.DataSet.ContigSet .contigset.xml
ReferenceSet PacBio.DataSet.ReferenceSet .referenceset.xml
GmapReferenceSet PacBio.DataSet.GmapReferenceSet .gmapreferenceset.xml
TranscriptSet PacBio.DataSet.TranscriptSet .transcriptset.xml
TranscriptAlignmentSet | PacBio.DataSet.TranscriptAlignmentSet | .transcriptalignmentset.xml

DataSet External Resource MetaTypes and File Extensions

The following table lists the ExternalResource’s expected by each DataSet subclass and their associated MetaType values and expected filename suffix strings. In some cases the ExternalResource can occur in multiple DataSet types, but only for particular parent ExternalResource’s elements. Note that while this specification allows ExternalResource’s to in some cases refer to other DataSets, they should in no cases refer to a DataSet of the same type as the parent (e.g. SubreadSet’s should not refer to external SubreadSet’s).

DataSet or Tag ExternalResource MetaType File Extensions
SubreadSet PacBio.SubreadFile.SubreadBamFile .bam
  PacBio.SubreadFile.ScrapsBamFile .bam
  PacBio.SubreadFile.HqRegionBamFile .bam
  PacBio.SubreadFile.HqScrapsBamFile .bam
  PacBio.SubreadFile.LqRegionBamFile .bam
  PacBio.SubreadFile.LqScrapsBamFile .bam
  PacBio.SubreadFile.PolymeraseBamFile .bam
  PacBio.SubreadFile.PolymeraseScrapsBamFile .bam
  PacBio.SubreadFile.ChipStatsFile .sts.xml
  PacBio.SubreadFile.ChipStatsH5File .sts.h5
  PacBio.SubreadFile.AdapterFastaFile .fasta
  PacBio.SubreadFile.ControlFastaFile .fasta
HdfSubreadSet PacBio.SubreadFile.BaxFile .bax.h5
AlignmentSet PacBio.AlignmentFile.AlignmentBamFile .bam
BarcodeSet PacBio.BarcodeFile.BarcodeFastaFile .fasta
ConsensusReadSet PacBio.ConsensusReadFile.ConsensusReadBamFile .bam
ConsensusAlignmentSet PacBio.AlignmentFile.ConsensusAlignmentBamFile .bam
TranscriptSet PacBio.TranscriptFile.TranscriptBamFile .bam
TranscriptAlignmentSet PacBio.AlignmentFile.TranscriptAlignmentBamFile .bam
ContigSet PacBio.ContigFile.ContigFastaFile .fasta
ReferenceSet PacBio.ReferenceFile.ReferenceFastaFile .fasta
Bam ExternalResource PacBio.Index.BamIndex .bam.bai
  PacBio.Index.PacBioIndex .bam.pbi
Fasta ExternalResource PacBio.Index.SamIndex .fasta.fai
  PacBio.Index.SaWriterIndex .fasta.sa
  PacBio.GmapDB.GmapDBSummary ?
  PacBio.Index.NgmlrRefEncoded .ngm
  PacBio.Index.NgmlrRefTable .ngm

Some ExternalResource’s themselves contain associated ExternalResources’s, for example the indices associated with FASTA files. These associated files are nested within the primary ExternalResource element to denote their subsidiary nature.

DataSet UI Name and Time Stamped Name

The pattern for TimeStampedName attribute generated by production PacBio tools should be:

<metatype>-<yymmdd_HHmmssttt>

Where MetaType has been transformed into a lowercase, underscore separated string and the time string format directives map to the following entities: year, month, day, hour, minute, second, millisecond.

DataSet TimeStampedName DataSet UI Name
SubreadSet pacbio_dataset_subreadset-<yymmdd_HHmmssttt> BAM Data
HdfSubreadSet pacbio_dataset_hdfsubreadset-<yymmdd_HHmmssttt> RS II Data
AlignmentSet pacbio_dataset_alignmentset-<yymmdd_HHmmssttt> TBD
BarcodeSet pacbio_dataset_barcodeset-<yymmdd_HHmmssttt> Barcode
ConsensusReadSet pacbio_dataset_consensusreadset-<yymmdd_HHmmssttt> TBD
ConsensusAlignmentSet pacbio_dataset_consensusalignmentset-<yymmdd_HHmmssttt> TBD
ContigSet pacbio_dataset_contigset-<yymmdd_HHmmssttt> TBD
ReferenceSet pacbio_dataset_referenceset-<yymmdd_HHmmssttt> Reference
TranscriptSet pacbio_dataset_transcriptset-<yymmdd_HHmmssttt> TBD
TranscriptAlignmentSet pacbio_dataset_transcriptalignmentset-<yymmdd_HHmmssttt> TBD

Note that all PacBio.Index.* ExternalResource’s are given a TimeStampedName attribute with an "index-" prefix.

Singleton DataSet element

While technically an XML file with multiple DataSet elements is valid under the XSD and this spec, in practice PacBio tools follow a one DataSet element per XML file convention.

Support for the DataSet XML

Support exists for using the DataSet XML throughout the SMRT Analysis stack.

The dataset command-line tool

The SMRT Link CL tools in 10.0.0 provide command-line support for creating, filtering, validating, merging, splitting, consolidating and other common operations via the dataset command. Detailed CL documentation and example can be found in the pbcoretools documentation. Note that in the SMRT Link CL tools tarball, the command is dataset not dataset.py.

Core API Support

An API is provided in pbcore (Python) and pbbam (C++) that makes consuming DataSet XML files or the underlying files such as BAM as burden-free as possible.

Other PacBio command-line tools

All bioinformatics tools that consume DataSet XML files should be capable of producing identical results using the equivalent BAM or FASTA file generated after applying all filters. In other words, the DataSet XML is not required to obtain bioinformatics results. However, support for the DataSet XML is encouraged for SMRT Analysis tools, and facilitated using the above API.

Other topics

Mutability and equality

To allow user editing of attributes such as Name without affecting the underlying DataSet we define the Core DataSet as the XML with the user editable attributes (Name, Description and Tags) removed (not set to “”, but absent). This Core DataSet is immutable and is the entity on which identity operations are defined. As a consequence, any modifications to fields other than Name, Description or Tags requires giving the DataSet a new universal UniqueId (aka UUID). Operations such as md5 checksum should be performed on the Core DataSet unless otherwise specified.

I/O trade-offs

The DataSet model defers I/O operations by replacing up-front file merges with downstream I/O operations that hit many different files. This allows consumers to avoid explicit creation of files on disk and the resulting redundant storage and costly write operations. For many uses this many-file approach is preferred to explicitly creating the file on disk, but in some cases it may be desirable to incur the cost of accessing and filtering multiple files once (e.g. to reduce disk seeks for highly fragmented DataSets). Determining when the costs outweigh the benefits will need practical investigation, but regardless the Consolidate operation provides the means for using the form of DataSet that best fits a particular use case.

Outstanding Issues and Future Directions

  • Document FASTA filters for pbcore / pbbam for releases post-4.0.
  • The propagation of subdatasets in merging can result in rather large XML files with duplicated information. It is possible this duplication could be reduced using XML IDREFs from the subdatasets to information in the top level DataSet, for ExternalResources or CollectionMetadata. This should be considered as a possible future revision.

Appendix 1: Examples satisfying the motivating use cases

  • Refer to a set of subreads in multiple BAM files:

    <?xml version="1.0" encoding="utf-8" ?>
    <pbds:SubreadSet xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd">
        <pbbase:ExternalResources>
            <pbbase:ExternalResource MetaType="SubreadFile.SubreadBamFile"
                              ResourceId="file:/mnt/path/to/subreads0.bam"/>
            <pbbase:ExternalResource MetaType="SubreadFile.SubreadBamFile"
                              ResourceId="file:/mnt/path/to/subreads1.bam"/>
        </pbbase:ExternalResources>
        <pbds:Filters>
            <pbds:Filter>
                <pbbase:Properties>
                    <pbbase:Property Name="rq" Operator="gt" Value="0.75"/>
                </pbbase:Properties>
            </pbds:Filter>
        </pbds:Filters>
        <pbds:DataSetMetadata>
            <pbbase:TotalLength>5000</pbbase:TotalLength>
            <pbbase:NumRecords>500</pbbase:NumRecords>
        </pbds:DataSetMetadata>
    </pbds:SubreadSet>
    
  • Refer to a subset of subreads by id from one or more BAM files:

    <?xml version="1.0" encoding="utf-8" ?>
    <pbds:SubreadSet xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd">
        <pbbase:ExternalResources>
            <pbbase:ExternalResource MetaType="SubreadFile.SubreadBamFile"
                              ResourceId="file:/mnt/path/to/subreads0.bam"/>
        </pbbase:ExternalResources>
        <pbds:Filters>
            <pbds:Filter>
                <pbbase:Properties>
                    <pbbase:Property Name="qname" Operator="==" Value="m100000/0/0_100"/>
                </pbbase:Properties>
            </pbds:Filter>
            <pbds:Filter>
                <pbbase:Properties>
                    <pbbase:Property Name="qname" Operator="==" Value="m100000/1/0_200"/>
                </pbbase:Properties>
            </pbds:Filter>
        </pbds:Filters>
        <pbds:DataSetMetadata>
            <pbbase:TotalLength>5000</pbbase:TotalLength>
            <pbbase:NumRecords>500</pbbase:NumRecords>
        </pbds:DataSetMetadata>
    </pbds:SubreadSet>
    
  • Refer to a subset of alignments for input to algorithms such as Arrow (e.g. on a particular chromosome, or a particular chromosome region, or from reads labeled with a particular barcode)
    • Use an AlignmentSet filtered by rname
  • Perform any analysis that can be performed on an entire file of a particular data type (reads, read regions, alignments) on a subset of that data type without creating a new file. - Relies on tools using common APIs to access DataSets.

Appendix 2: Example DataSet XML files

Here are some example XML files for each of the above DataSets

Example SubreadSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:SubreadSet
    xmlns="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbsample="http://pacificbiosciences.com/PacBioSampleInfo.xsd"
    xmlns:pbmeta="http://pacificbiosciences.com/PacBioCollectionMetadata.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="subreadset_150304_231155"
    MetaType="PacBio.DataSet.SubreadSet"
    Name="DataSet_SubreadSet"
    Tags="barcode moreTags mapping mytags"
    Version="3.0.0"
    CreatedAt="2015-01-27T09:00:01">
<pbbase:ExternalResources>
    <pbbase:ExternalResource
        UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5193"
        TimeStampedName="subread_bam_150304_231155"
        MetaType="PacBio.SubreadFile.SubreadBamFile"
        Name="First Subreads BAM"
        Description="Points to an example Subreads BAM file."
        Tags="Example">
        <pbbase:FileIndices>
            <pbbase:FileIndex
                UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5194"
                TimeStampedName="bam_index_150304_231155"
                MetaType="PacBio.Index.PacBioIndex"
                ResourceId="file:///mnt/path/to/subreads0.pbi"/>
        </pbbase:FileIndices>
        <pbbase:ExternalResources>
            <pbbase:ExternalResource
                UniqueId="b096d0a3-94b8-4918-b3af-a3f81bbe5195"
                TimeStampedName="scraps_bam_150304_231155"
                MetaType="PacBio.SubreadFile.ScrapsBamFile"
                ResourceId="file:///mnt/path/to/scraps0.bam"
                Tags="Example"
                Name="First scraps BAM"
                Description="Points to an example scraps BAM file.">
                <pbbase:FileIndices>
                    <pbbase:FileIndex
                        UniqueId="b096d0a3-94b8-4918-b3af-a3f81bbe5196"
                        TimeStampedName="bam_index_150304_231155"
                        MetaType="PacBio.Index.PacBioIndex"
                        ResourceId="file:///mnt/path/to/scraps0.pbi"/>
                 </pbbase:FileIndices>
            </pbbase:ExternalResource>
        </pbbase:ExternalResources>
    </pbbase:ExternalResource>
    <pbbase:ExternalResource
        UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5197"
        TimeStampedName="subread_bam_150304_231155"
        MetaType="PacBio.SubreadFile.SubreadBamFile"
        ResourceId="file:///mnt/path/to/subreads1.bam"
        Name="Second Subreads BAM"
        Description="Points to another example Subreads BAM file."
        Tags="Example">
        <pbbase:FileIndices>
            <pbbase:FileIndex
                UniqueId="b096d0a3-94b8-4918-b3af-a3f81bbe5198"
                TimeStampedName="bam_index_150304_231155"
                MetaType="PacBio.Index.PacBioIndex"
                ResourceId="file:///mnt/path/to/subreads0.pbi"/>
        </pbbase:FileIndices>
        <pbbase:ExternalResources>
            <pbbase:ExternalResource
                UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5199"
                TimeStampedName="scraps_bam_150304_231155"
                MetaType="PacBio.SubreadFile.ScrapsBamFile"
                ResourceId="file:///mnt/path/to/scraps1.bam"
                Name="Second scraps BAM" Description="Points to another example scraps BAM file."
                Tags="Example">
                <pbbase:FileIndices>
                    <pbbase:FileIndex
                        UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5190"
                        TimeStampedName="bam_index_150304_231155"
                        MetaType="PacBio.Index.PacBioIndex"
                        ResourceId="file:///mnt/path/to/scraps1.pbi"/>
                 </pbbase:FileIndices>
            </pbbase:ExternalResource>
        </pbbase:ExternalResources>
    </pbbase:ExternalResource>
</pbbase:ExternalResources>
<pbds:Filters>
    <pbds:Filter>
        <pbbase:Properties>
            <pbbase:Property Name="rq" Value="0.75" Operator="&gt;"/>
        </pbbase:Properties>
    </pbds:Filter>
    <pbds:Filter>
        <pbbase:Properties>
            <pbbase:Property Name="QNAME" Value="100/0/0_100" Operator="=="/>
        </pbbase:Properties>
    </pbds:Filter>
</pbds:Filters>
<pbds:DataSetMetadata>
    <pbds:TotalLength>500000</pbds:TotalLength>
    <pbds:NumRecords>500</pbds:NumRecords>
    <pbmeta:Collections>
        <pbmeta:CollectionMetadata
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5393"
            TimeStampedName="collection_150304_231155"
            MetaType="PacBio.CollectionMetadata"
            Context="m152720_092723_00114_c100480560100000001823075906281381_s1_p0"
            InstrumentName="RS"
            InstrumentId="43210">
            <pbmeta:InstCtrlVer>2.3.0.0.140640</pbmeta:InstCtrlVer>
            <pbmeta:SigProcVer>NRT@172.31.128.10:8082, SwVer=2300.140640, HwVer=1.0</pbmeta:SigProcVer>
            <pbmeta:RunDetails>
                <pbmeta:RunId>e903682f-e502-465c-a2b6-9dd77c9f43fc</pbmeta:RunId>
                <pbmeta:Name>beta4_130726_biotin_DEV_vs_MFG_PB11K_9458p</pbmeta:Name>
            </pbmeta:RunDetails>
            <pbmeta:WellSample Name="Well Sample 1">
                <pbmeta:PlateId>2014-12-24_141_NGAT_Igor_bisPNA Enrichment_Mag Bead Elution Buffers</pbmeta:PlateId>
                <pbmeta:WellName>B01</pbmeta:WellName>
                <pbmeta:Concentration>10</pbmeta:Concentration>
                <pbmeta:SampleReuseEnabled>true</pbmeta:SampleReuseEnabled>
                <pbmeta:StageHotstartEnabled>true</pbmeta:StageHotstartEnabled>
                <pbmeta:SizeSelectionEnabled>true</pbmeta:SizeSelectionEnabled>
                <pbmeta:UseCount>0</pbmeta:UseCount>
                <pbsample:BioSamplePointers>
                    <pbsample:BioSamplePointer>abc2df90-d44f-4a48-9f35-3b99473c68f5</pbsample:BioSamplePointer>
                </pbsample:BioSamplePointers>
            </pbmeta:WellSample>
            <pbmeta:Automation>
                <pbbase:AutomationParameters>
                    <pbbase:AutomationParameter/>
                </pbbase:AutomationParameters>
            </pbmeta:Automation>
            <pbmeta:CollectionNumber>0</pbmeta:CollectionNumber>
            <pbmeta:CellIndex>0</pbmeta:CellIndex>
            <pbmeta:CellPac Barcode="100480560100000001823075906281381"/>
            <pbmeta:Primary>
                <pbmeta:AutomationName>BasecallerV1</pbmeta:AutomationName>
                <pbmeta:ConfigFileName>1-3-0_Standard_C2.xml</pbmeta:ConfigFileName>
                <pbmeta:SequencingCondition/>
                <pbmeta:OutputOptions>
                    <pbmeta:ResultsFolder>Analysis_Results</pbmeta:ResultsFolder>
                    <pbmeta:CollectionPathUri>rsy://mp-rsync/vol56//RS_DATA_STAGING//2014-12-24_141_NGAT_Igor_bisPNA%20Enrichment_Mag%20Bead%20Elution%20Buffers_1094/B01_1</pbmeta:CollectionPathUri>
                    <pbmeta:CopyFiles>
                        <pbmeta:CollectionFileCopy>Bam</pbmeta:CollectionFileCopy>
                    </pbmeta:CopyFiles>
                    <pbmeta:Readout>Bases</pbmeta:Readout>
                    <pbmeta:MetricsVerbosity>Minimal</pbmeta:MetricsVerbosity>
                </pbmeta:OutputOptions>
            </pbmeta:Primary>
        </pbmeta:CollectionMetadata>
    </pbmeta:Collections>
    <pbsample:BioSamples>
        <pbsample:BioSample
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5293"
            TimeStampedName="biosample_150304_231155"
            MetaType="PacBio.BioSample"
            Name="consectetur purus"
            Description="Risus sit amet lectus vehicula vulputate quisque porta accumsan venenatis."
            CreatedAt="2015-01-20T13:27:23.9271737-08:00"/>
    </pbsample:BioSamples>
    <pbds:SummaryStats>
        <pbds:AdapterDimerFraction>0.1</pbds:AdapterDimerFraction>
        <pbds:ShortInsertFraction>0.1</pbds:ShortInsertFraction>
        <pbds:NumSequencingZmws>0</pbds:NumSequencingZmws>
        <pbds:ProdDist>
            <pbbase:NumBins>4</pbbase:NumBins>
            <pbbase:BinCounts>
                <pbbase:BinCount>1576</pbbase:BinCount>
                <pbbase:BinCount>901</pbbase:BinCount>
                <pbbase:BinCount>399</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
            </pbbase:BinCounts>
            <pbbase:MetricDescription>Productivity</pbbase:MetricDescription>
            <pbbase:BinLabels>
                <pbbase:BinLabel>Empty</pbbase:BinLabel>
                <pbbase:BinLabel>Productive</pbbase:BinLabel>
                <pbbase:BinLabel>Other</pbbase:BinLabel>
                <pbbase:BinLabel>NotDefined</pbbase:BinLabel>
            </pbbase:BinLabels>
        </pbds:ProdDist>
        <pbds:ReadTypeDist>
            <pbbase:NumBins>9</pbbase:NumBins>
            <pbbase:BinCounts>
                <pbbase:BinCount>1474</pbbase:BinCount>
                <pbbase:BinCount>799</pbbase:BinCount>
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            <pbbase:MetricDescription>Read Type</pbbase:MetricDescription>
            <pbbase:BinLabels>
                <pbbase:BinLabel>Empty</pbbase:BinLabel>
                <pbbase:BinLabel>FullHqRead0</pbbase:BinLabel>
                <pbbase:BinLabel>FullHqRead1</pbbase:BinLabel>
                <pbbase:BinLabel>PartialHqRead0</pbbase:BinLabel>
                <pbbase:BinLabel>PartialHqRead1</pbbase:BinLabel>
                <pbbase:BinLabel>PartialHqRead2</pbbase:BinLabel>
                <pbbase:BinLabel>Multiload</pbbase:BinLabel>
                <pbbase:BinLabel>Indeterminate</pbbase:BinLabel>
                <pbbase:BinLabel>NotDefined</pbbase:BinLabel>
            </pbbase:BinLabels>
        </pbds:ReadTypeDist>
        <pbds:ReadLenDist>
            <pbbase:SampleSize>901</pbbase:SampleSize>
            <pbbase:SampleMean>4528.69384765625</pbbase:SampleMean>
            <pbbase:SampleMed>5227</pbbase:SampleMed>
            <pbbase:SampleStd>2322.8055598026981</pbbase:SampleStd>
            <pbbase:Sample95thPct>7367</pbbase:Sample95thPct>
            <pbbase:NumBins>30</pbbase:NumBins>
            <pbbase:BinCounts>
                <pbbase:BinCount>0</pbbase:BinCount>
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            <pbbase:BinWidth>418.89999389648438</pbbase:BinWidth>
            <pbbase:MinOutlierValue>77</pbbase:MinOutlierValue>
            <pbbase:MinBinValue>77</pbbase:MinBinValue>
            <pbbase:MaxBinValue>12225.1025390625</pbbase:MaxBinValue>
            <pbbase:MaxOutlierValue>12644</pbbase:MaxOutlierValue>
            <pbbase:MetricDescription>Polymerase Read Length</pbbase:MetricDescription>
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        <pbds:ReadQualDist>
            <pbbase:SampleSize>901</pbbase:SampleSize>
            <pbbase:SampleMean>0.82736450433731079</pbbase:SampleMean>
            <pbbase:SampleMed>0.83167940378189087</pbbase:SampleMed>
            <pbbase:SampleStd>0.029663275550147809</pbbase:SampleStd>
            <pbbase:Sample95thPct>0.86801999807357788</pbbase:Sample95thPct>
            <pbbase:NumBins>30</pbbase:NumBins>
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            <pbbase:MinOutlierValue>0.7500004768371582</pbbase:MinOutlierValue>
            <pbbase:MinBinValue>0.7500004768371582</pbbase:MinBinValue>
            <pbbase:MaxBinValue>0.89225196838378906</pbbase:MaxBinValue>
            <pbbase:MaxOutlierValue>0.89715707302093506</pbbase:MaxOutlierValue>
            <pbbase:MetricDescription>Polymerase Read Quality</pbbase:MetricDescription>
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        <pbds:ControlReadLenDist>
            <pbbase:SampleSize>901</pbbase:SampleSize>
            <pbbase:SampleMean>4528.69384765625</pbbase:SampleMean>
            <pbbase:SampleMed>5227</pbbase:SampleMed>
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            <pbbase:Sample95thPct>7367</pbbase:Sample95thPct>
            <pbbase:NumBins>30</pbbase:NumBins>
            <pbbase:BinCounts>
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            <pbbase:MetricDescription>Polymerase Read Length</pbbase:MetricDescription>
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        <pbds:ControlReadQualDist>
            <pbbase:SampleSize>901</pbbase:SampleSize>
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            <pbbase:Sample95thPct>0.86801999807357788</pbbase:Sample95thPct>
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            <pbbase:MinOutlierValue>0.7500004768371582</pbbase:MinOutlierValue>
            <pbbase:MinBinValue>0.7500004768371582</pbbase:MinBinValue>
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            <pbbase:MetricDescription>Polymerase Read Quality</pbbase:MetricDescription>
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        <pbds:MedianInsertDist>
            <pbbase:SampleSize>973</pbbase:SampleSize>
            <pbbase:SampleMean>513.21990966796875</pbbase:SampleMean>
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            <pbbase:Sample95thPct>1322</pbbase:Sample95thPct>
            <pbbase:NumBins>30</pbbase:NumBins>
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            <pbbase:MetricDescription>Median Insert</pbbase:MetricDescription>
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            <pbbase:NumBins>30</pbbase:NumBins>
            <pbbase:BinCounts>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>62</pbbase:BinCount>
                <pbbase:BinCount>39</pbbase:BinCount>
                <pbbase:BinCount>36</pbbase:BinCount>
                <pbbase:BinCount>29</pbbase:BinCount>
                <pbbase:BinCount>37</pbbase:BinCount>
                <pbbase:BinCount>19</pbbase:BinCount>
                <pbbase:BinCount>29</pbbase:BinCount>
                <pbbase:BinCount>37</pbbase:BinCount>
                <pbbase:BinCount>32</pbbase:BinCount>
                <pbbase:BinCount>32</pbbase:BinCount>
                <pbbase:BinCount>40</pbbase:BinCount>
                <pbbase:BinCount>45</pbbase:BinCount>
                <pbbase:BinCount>54</pbbase:BinCount>
                <pbbase:BinCount>73</pbbase:BinCount>
                <pbbase:BinCount>77</pbbase:BinCount>
                <pbbase:BinCount>97</pbbase:BinCount>
                <pbbase:BinCount>95</pbbase:BinCount>
                <pbbase:BinCount>49</pbbase:BinCount>
                <pbbase:BinCount>17</pbbase:BinCount>
                <pbbase:BinCount>2</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
            </pbbase:BinCounts>
            <pbbase:BinWidth>418.89999389648438</pbbase:BinWidth>
            <pbbase:MinOutlierValue>77</pbbase:MinOutlierValue>
            <pbbase:MinBinValue>77</pbbase:MinBinValue>
            <pbbase:MaxBinValue>12225.1025390625</pbbase:MaxBinValue>
            <pbbase:MaxOutlierValue>12644</pbbase:MaxOutlierValue>
            <pbbase:MetricDescription>Polymerase Read Length</pbbase:MetricDescription>
        </pbds:InsertReadLenDist>
        <pbds:InsertReadQualDist>
            <pbbase:SampleSize>901</pbbase:SampleSize>
            <pbbase:SampleMean>0.82736450433731079</pbbase:SampleMean>
            <pbbase:SampleMed>0.83167940378189087</pbbase:SampleMed>
            <pbbase:SampleStd>0.029663275550147809</pbbase:SampleStd>
            <pbbase:Sample95thPct>0.86801999807357788</pbbase:Sample95thPct>
            <pbbase:NumBins>30</pbbase:NumBins>
            <pbbase:BinCounts>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>12</pbbase:BinCount>
                <pbbase:BinCount>8</pbbase:BinCount>
                <pbbase:BinCount>11</pbbase:BinCount>
                <pbbase:BinCount>10</pbbase:BinCount>
                <pbbase:BinCount>17</pbbase:BinCount>
                <pbbase:BinCount>11</pbbase:BinCount>
                <pbbase:BinCount>20</pbbase:BinCount>
                <pbbase:BinCount>24</pbbase:BinCount>
                <pbbase:BinCount>24</pbbase:BinCount>
                <pbbase:BinCount>34</pbbase:BinCount>
                <pbbase:BinCount>25</pbbase:BinCount>
                <pbbase:BinCount>38</pbbase:BinCount>
                <pbbase:BinCount>52</pbbase:BinCount>
                <pbbase:BinCount>33</pbbase:BinCount>
                <pbbase:BinCount>45</pbbase:BinCount>
                <pbbase:BinCount>48</pbbase:BinCount>
                <pbbase:BinCount>57</pbbase:BinCount>
                <pbbase:BinCount>47</pbbase:BinCount>
                <pbbase:BinCount>69</pbbase:BinCount>
                <pbbase:BinCount>65</pbbase:BinCount>
                <pbbase:BinCount>55</pbbase:BinCount>
                <pbbase:BinCount>51</pbbase:BinCount>
                <pbbase:BinCount>57</pbbase:BinCount>
                <pbbase:BinCount>42</pbbase:BinCount>
                <pbbase:BinCount>29</pbbase:BinCount>
                <pbbase:BinCount>12</pbbase:BinCount>
                <pbbase:BinCount>3</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>1</pbbase:BinCount>
                <pbbase:BinCount>0</pbbase:BinCount>
                <pbbase:BinCount>1</pbbase:BinCount>
            </pbbase:BinCounts>
            <pbbase:BinWidth>0.0049052196554839611</pbbase:BinWidth>
            <pbbase:MinOutlierValue>0.7500004768371582</pbbase:MinOutlierValue>
            <pbbase:MinBinValue>0.7500004768371582</pbbase:MinBinValue>
            <pbbase:MaxBinValue>0.89225196838378906</pbbase:MaxBinValue>
            <pbbase:MaxOutlierValue>0.89715707302093506</pbbase:MaxOutlierValue>
            <pbbase:MetricDescription>Polymerase Read Quality</pbbase:MetricDescription>
        </pbds:InsertReadQualDist>
    </pbds:SummaryStats>
</pbds:DataSetMetadata>
</pbds:SubreadSet>

Example CcsreadSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:ConsensusReadSet
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="consensusreadset_150304_231155"
    MetaType="PacBio.DataSet.ConsensusReadSet"
    Name="DataSet_ConsensusReadSet"
    Tags="barcode moreTags mapping mytags"
    Version="2.3.0"
    CreatedAt="2015-01-27T09:00:01">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5193"
            TimeStampedName="consensusread_bam_150304_231155"
            MetaType="PacBio.ConsensusReadFile.ConsensusReadBamFile"
            Name="First ConsensusRead BAM"
            Description="Points to an example ConsensusRead BAM file."
            ResourceId="file:///mnt/path/to/ccsreads0.bam"
            Tags="Example">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5293"
                    TimeStampedName="bam_index_150304_231155"
                    MetaType="PacBio.Index.PacBioIndex"
                    ResourceId="file:///mnt/path/to/ccsreads0.pbi"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>
        <pbbase:ExternalResource
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5393"
            TimeStampedName="consensusread_bam_150304_231155"
            MetaType="PacBio.ConsensusReadFile.ConsensusReadBamFile"
            Name="Second ConsensusRead BAM"
            Description="Points to an example ConsensusRead BAM file."
            ResourceId="file:///mnt/path/to/ccsreads1.bam"
            Tags="Example">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5493"
                    TimeStampedName="bam_index_150304_231155"
                    MetaType="PacBio.Index.PacBioIndex"
                    ResourceId="file:///mnt/path/to/ccsreads0.pbi"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>
    </pbbase:ExternalResources>
</pbds:ConsensusReadSet>

Example AlignmentSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:AlignmentSet
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbsample="http://pacificbiosciences.com/PacBioSampleInfo.xsd"
    xmlns:pbmeta="http://pacificbiosciences.com/PacBioCollectionMetadata.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns="http://pacificbiosciences.com/PacBioDataModel.xsd"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    Tags="barcode moreTags mapping mytags"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="alignmentset_150304_231155"
    MetaType="PacBio.DataSet.AlignmentSet"
    Name="Uber alignment set"
    Version="2.3.0"
    CreatedAt="2015-01-27T09:00:01">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            Name="First Alignments BAM"
            Description="Points to an example Alignments BAM file."
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5293"
            TimeStampedName="alignment_bam_150304_231155"
            MetaType="PacBio.AlignmentFile.AlignmentBamFile"
            ResourceId="file:///mnt/path/to/alignments0.bam" Tags="Example">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5393"
                    TimeStampedName="bam_index_150304_231155"
                    MetaType="PacBio.Index.PacBioIndex"
                    ResourceId="file:///mnt/path/to/alignments0.pbi"/>
            </pbbase:FileIndices>
            <pbbase:ExternalResources>
                <pbbase:ExternalResource
                    Name="Reference used to produce BAM file"
                    Description="Points to the reference used to generate the above BAM file."
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5493"
                    TimeStampedName="reference_fasta_150304_231155"
                    MetaType="PacBio.ReferenceFile.ReferenceFastaFile"
                    ResourceId="file:///mnt/path/to/reference.fasta" Tags="Example">
                    <pbbase:FileIndices>
                        <pbbase:FileIndex
                            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5593"
                            TimeStampedName="sawriter_index_150304_231155"
                            MetaType="PacBio.Index.SaWriterIndex"
                            ResourceId="file:///mnt/path/to/reference.fasta.sa"/>
                        <pbbase:FileIndex
                            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5693"
                            TimeStampedName="sam_index_150304_231155"
                            MetaType="PacBio.Index.SamIndex"
                            ResourceId="file:///mnt/path/to/reference.fasta.fai"/>
                    </pbbase:FileIndices>
                </pbbase:ExternalResource>
            </pbbase:ExternalResources>
        </pbbase:ExternalResource>
        <!-- Is this second BAM necessary? <pbbase:ExternalResource Name="Second Alignments BAM" Description="Points to another example Alignments BAM file, by relative path." MetaType="PacBio.AlignmentFile.AlignmentBamFile" ResourceId="file:./alignments1.bam" Tags="Example">
            <pbbase:FileIndices>
                <pbbase:FileIndex MetaType="PacBio.Index.PacBioIndex" ResourceId="file:///mnt/path/to/alignments1.pbi"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>-->

    </pbbase:ExternalResources>
<!--  START use IDREF here for External Resources, or just duplicate them?  <pbds:DataSets>
        <pbds:DataSet
            UniqueId="ab95d0a3-94b8-4918-b3af-a3f81bbe519c"
            TimeStampedName="alignmentset_150304_231155"
            MetaType="PacBio.DataSet.AlignmentSet"
            Version="2.3.0"
            Name="HighQuality Read Alignments">
            <pbbase:ExternalResources>
                <ExternalResource/>
            </pbbase:ExternalResources>
            <pbds:Filters> These Filters are in addition to those above. This provides a means to subset and label the parent DataSet further.
                <pbds:Filter>
                    <pbbase:Properties>
                        <pbbase:Property Name="rq" Value="0.85" Operator=">"/>
                    </pbbase:Properties>
                </pbds:Filter>
            </pbds:Filters>
        </pbds:DataSet>
        <pbds:DataSet
            UniqueId="ac95d0a3-94b8-4918-b3af-a3f81bbe519c"
            TimeStampedName="alignmentset_150304_231155"
            MetaType="PacBio.DataSet.AlignmentSet"
            Version="2.3.0"
            Name="Alignments to chromosome 1">
            <pbbase:ExternalResources>
                <ExternalResource/>
            </pbbase:ExternalResources>
            <pbds:Filters>
                <pbds:Filter>
                    <pbbase:Properties>
                        <pbbase:Property Name="RNAME" Value="chr1" Operator="=="/>
                    </pbbase:Properties>
                </pbds:Filter>
            </pbds:Filters>
        </pbds:DataSet>
    </pbds:DataSets>
    -->
    <pbds:DataSetMetadata>
        <pbds:TotalLength>50000</pbds:TotalLength>
        <pbds:NumRecords>5000</pbds:NumRecords>
        <pbds:Provenance CreatedBy="AnalysisJob">
            <pbds:ParentTool Name="pbalign" Version="0.1.0" Description="pbalign subreads.dataset.xml reference.dataset.xml"/>
        </pbds:Provenance>
    </pbds:DataSetMetadata>
</pbds:AlignmentSet>

Example ReferenceSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:ReferenceSet
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns="http://pacificbiosciences.com/PacBioDataModel.xsd"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="referenceset_150304_231155"
    MetaType="PacBio.DataSet.ReferenceSet"
    Name="DataSet_ReferenceSet"
    Tags="barcode moreTags mapping mytags"
    Version="2.3.0"
    CreatedAt="2015-01-27T09:00:01">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            Name="First References FASTA"
            Description="Points to an example references FASTA file."
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5293"
            TimeStampedName="referencefasta_150304_231155"
            MetaType="PacBio.ReferenceFile.ReferenceFastaFile"
            ResourceId="file:///mnt/path/to/reference.fasta"
            Tags="Example">
            <pbbase:FileIndices>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5393"
                    TimeStampedName="sawriter_index_150304_231155"
                    MetaType="PacBio.Index.SaWriterIndex"
                    ResourceId="file:///mnt/path/to/reference.fasta.sa"/>
                <pbbase:FileIndex
                    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe5493"
                    TimeStampedName="sam_index_150304_231155"
                    MetaType="PacBio.Index.SamIndex"
                    ResourceId="file:///mnt/path/to/reference.fasta.fai"/>
            </pbbase:FileIndices>
        </pbbase:ExternalResource>
    </pbbase:ExternalResources>
    <pbds:DataSetMetadata>
        <pbds:TotalLength>5000000</pbds:TotalLength>
        <pbds:NumRecords>500</pbds:NumRecords>
        <pbds:Organism>Tribble</pbds:Organism>
        <pbds:Ploidy>Diploid</pbds:Ploidy>
        <pbds:Contigs>
            <pbds:Contig
                Name="gi|229359445|emb|AM181176.4|"
                Description="Pseudomonas fluorescens SBW25 complete genome|quiver"
                Length="6722109"
                Digest="f627c795efad7ce0050ed42b942d408e"/>
        </pbds:Contigs>
    </pbds:DataSetMetadata>
</pbds:ReferenceSet>

Example ContigSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:ContigSet
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns="http://pacificbiosciences.com/PacBioDataModel.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="contigset_150304_231155"
    MetaType="PacBio.DataSet.ContigSet"
    Name="DataSet_ContigSet"
    Tags="HGAP"
    Version="2.3.0"
    CreatedAt="2015-01-27T09:00:01"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe529c"
            TimeStampedName="contig_fasta_150304_231155"
            MetaType="PacBio.ContigFile.ContigFastaFile"
            Name="First Contigs FASTA"
            Description="Points to an example contigs FASTA file e.g. from HGAP."
            ResourceId="file:///mnt/path/to/contigs.fasta" Tags="Example">
        </pbbase:ExternalResource>
    </pbbase:ExternalResources>
    <pbds:DataSetMetadata>
        <pbds:TotalLength>5000000</pbds:TotalLength>
        <pbds:NumRecords>500</pbds:NumRecords>
        <pbds:Contigs>
            <pbds:Contig
                Name="gi|229359445|emb|AM181176.4|"
                Description="Pseudomonas fluorescens SBW25 complete genome|quiver"
                Length="6722109"
                Digest="f627c795efad7ce0050ed42b942d408e"/>
        </pbds:Contigs>
    </pbds:DataSetMetadata>
</pbds:ContigSet>

Example BarcodeSet XML:

<?xml version="1.0" encoding="utf-8"?>
<pbds:BarcodeSet
    xmlns:pbbase="http://pacificbiosciences.com/PacBioBaseDataModel.xsd"
    xmlns:pbds="http://pacificbiosciences.com/PacBioDatasets.xsd"
    xmlns="http://pacificbiosciences.com/PacBioDataModel.xsd"
    xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
    xsi:schemaLocation="http://pacificbiosciences.com/PacBioDataModel.xsd"
    UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe519c"
    TimeStampedName="barcodeset_150304_231155"
    MetaType="PacBio.DataSet.BarcodeSet"
    Name="DataSet_BarcodeSet"
    Tags="barcode moreTags mapping mytags"
    Version="2.3.0"
    CreatedAt="2015-01-27T09:00:01">
    <pbbase:ExternalResources>
        <pbbase:ExternalResource
            Name="First Barcodes FASTA"
            Description="Points to an example Barcodes FASTA file."
            UniqueId="b095d0a3-94b8-4918-b3af-a3f81bbe719c"
            MetaType="PacBio.BarcodeFile.BarcodeFastaFile"
            TimeStampedName="barcode_fasta_150304_231155"
            ResourceId="file:///mnt/path/to/barcode.fasta"
            Tags="Example"/>
    </pbbase:ExternalResources>
    <pbds:DataSetMetadata>
        <pbds:TotalLength>400</pbds:TotalLength>
        <pbds:NumRecords>30</pbds:NumRecords>
        <pbds:BarcodeConstruction>paired</pbds:BarcodeConstruction>
    </pbds:DataSetMetadata>
</pbds:BarcodeSet>

Appendix 3: Use cases from pre-2.0 SMRT Analysis satisfied by the DataSet XML files

  • Refer to a set of subreads in multiple bax.h5 files
    • FOFN of bax.h5 files (for blasr)
    • input.xml of bax.h5 files (for SMRT Pipe)
  • Refer to a subset of subreads by id from one or more bas.h5 files
    • Whitelist option to P_Filter to generate a FOFN of rgn.h5 files + FOFN of bas.h5 files
  • Refer to a set of alignments from multiple different references or movies
    • Explicitly merge the alignments into a larger (cmp.h5) alignment file
    • Create FOFN of cmp.h5 files
  • Run algorithms such as HGAP on a subset of subreads (e.g. that align to a contaminant such as E. coli)
    • Awkward, but supported indirectly though whitelist option to P_Filter
  • Run algorithms such as Quiver on a subset of alignments (e.g. on a particular chromosome, or a particular chromosome region, or from reads labeled with a particular barcode)
    • Command line options to Quiver (to e.g. specify a particular reference). Not currently supported on other algorithms.
  • Refer to a subset of alignments that obey certain criteria. In particular, the extractBy reference or accuracy functionality used in Milhouse.
    • Explicit creation of cmp.h5 files using cmph5tools.py select.
  • Perform any analysis that can be performed on an entire file of a particular data type (reads, read regions, alignments) on a subset of that data type without creating a new file.
    • Not supported pre-2.0.