Configuration page
The following configuration options are exposed via the administration web UI:
Additional Field Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
EmailFieldName |
Additional data field name that contains the e-mail address of the submitter in case of successful registrations |
|
|
EmailFailedFieldName |
Additional data field name that contains the e-mail address of the submitter in case of failed registrations |
FAILED_EMAIL |
|
ToBeReviewed |
Additional data field name that is used to force a submission to manual review |
TO BE REVIEWED |
Autoregister Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
AutoAssignSubmissionToChemist |
Controls if a failing submission should be assigned automatically to the submitter |
false |
Bulkloader Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
WebServiceHost |
|
[ ] |
|
WebServicePort |
|
[ ] |
|
UseUnmappedFields |
|
false |
Client Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
DateFormat |
Expected date format |
yyyy-MM-dd HH:mm:ss |
|
RegistrationSettings |
Client side configuration settings for the Registration page |
{ "isRegisterWithCnButtonVisible" : true ,"isSmallStructureLayoutModeEnabled" : false ,"isAdvancedModeEnabled" : false ,"structureDetailForm": { "title" : "Submission Details" ,"id" : "structureDetails" ,"position" : "leftcolumn" ,"isExpanded" : true ,"fields" : [ {"fieldName": "lnbRef", "additional": false } ,{"fieldName": "source", "additional": false } ,{"fieldName": "molWeight", "additional": false } ,{"fieldName": "submitter", "additional": false } ] }} |
|
StagingSettings |
Client side configuration settings for the Staging area |
{"maxItemsPerPage": 50,"defaultColumns": [ { "label" : "ID", "searchable" : true, "sortable" : true, "referenceKey" : "submissionId", "colWidth" : 94, "isDate" : false, "renderer" : "submissionlink" }, { "label" : "Library", "searchable" : true, "sortable" : true, "referenceKey" : "library", "colWidth" : 168, "isDate" : false, "renderer" : "text" }, { "label" : "LnbRef", "searchable" : true, "sortable" : true, "referenceKey" : "lnbRef", "colWidth" : 96, "isDate" : false, "renderer" : "text" }, { "label" : "Created on", "searchable" : true, "sortable" : true, "referenceKey" : "created", "colWidth" : 160, "isDate" : true, "renderer" : "date" }, { "label" : "Source", "searchable" : true, "sortable" : true, "referenceKey" : "source", "colWidth" : "", "isDate" : false, "renderer" : "text" }, { "label" : "Submitter", "searchable" : true, "sortable" : true, "referenceKey" : "creatorId", "colWidth" : "", "isDate" : false, "renderer" : "text" }, { "label" : "Opened by", "searchable" : true, "sortable" : true, "referenceKey" : "inProgressUserId", "colWidth" : "", "isDate" : false, "renderer" : "text" }, { "label" : "Current status", "searchable" : true, "sortable" : false, "referenceKey" : "status", "colWidth" : "", "isDate" : false, "renderer" : "status" }],"tabs": [ { "label" : "All submissions", "filters" : [] }, { "label" : "My staging", "groups" : [], "filters" : [{ "referenceKey": "inProgressUserId", "value": "${currentUsername}" }] }, { "label" : "Unassigned", "groups" : [], "filters" : [{ "referenceKey": "inProgressUserId", "value": "" }] }]} |
|
SubmissionSettings |
Client side configuration settings for the Submission page |
{"editableFields": [ { "label" : "LnbRef" ,"referenceObject" : "summary" ,"referenceKey" : "lnbRef" ,"editable" : true } ,{ "label" : "Molweight" ,"referenceObject" : "structure" ,"referenceKey" : "overridedMwt" ,"editable" : true } ,{ "label" : "Restriction" ,"referenceObject" : "structure" ,"referenceKey" : "restricted" ,"editable" : true }],"readOnlyFields": [ { "label" : "Created by" ,"referenceObject" : "summary" ,"referenceKey" : "userId" ,"editable" : false } ,{ "label" : "Source" ,"referenceObject" : "summary" ,"referenceKey" : "source" ,"editable" : false } ,{ "label" : "Calculated molweight" ,"referenceObject" : "structure" ,"referenceKey" : "mwt" ,"editable" : false } ,{ "label" : "Molecular formula" ,"referenceObject" : "structure" ,"referenceKey" : "mf" ,"editable" : false } ,{ "label" : "Library" ,"referenceObject" : "summary" ,"referenceKey" : "library" ,"editable" : false } ,{ "label" : "Submitter" ,"referenceObject" : "summary" ,"referenceKey" : "creatorId" ,"editable" : false }]} |
|
AmendmentSettings |
Client side configuration settings for the Browse page |
{ "lotLevelIdName":"ln" ,"primaryData" : [ { "label": "LnbRef" ,"scopeReference": "selectedNode.data.lnbRef" ,"showIfEmpty" : false } ,{ "label": "Molecular Formula" ,"scopeReference": "registryStructure.mf" ,"showIfEmpty" : true } ,{ "label": "Mol Weight" ,"scopeReference": "registryStructure.mwt" ,"showIfEmpty" : true } ,{ "label": "User Specified Mol Weight" ,"scopeReference": "registryStructure.overridedMwt" ,"showIfEmpty" : false } ,{ "label": "Source" ,"scopeReference": "registryStructure.source" ,"showIfEmpty" : false } ] ,"secondaryData" : [ { "label": "Created by" ,"scopeReference": "selectedNode.data.createdBy" ,"showIfEmpty" : false } ,{ "label": "Submitter" ,"scopeReference": "registryStructure.creatorId" ,"showIfEmpty" : false } ,{ "label": "Modified by" ,"scopeReference": "selectedNode.data.modifiedBy" ,"showIfEmpty" : false } ,{ "label": "Created on" ,"scopeReference": "selectedNode.data.createdOn" ,"showIfEmpty" : true } ,{ "label": "Modified on" ,"scopeReference": "selectedNode.data.modifiedOn" ,"showIfEmpty" : true } ]} |
|
RegSummaryLinkButton |
Client side configuration settings for the link button available on the registration summary dialog { "enabled": true, "buttonText": "Google search", "buttonIcon": "", "landingPage": "http://www.google.com/search", "parameters": [ { "key": "q", "value": "lnbRef" }, ]}
|
{ "enabled": false, "buttonText": "MyButton", "buttonIcon": "", "landingPage": "http://www.notconfigured.yet", "parameters": [ { "key": "myParameter", "value": "lnbRef" }, { "key": "myFavouriteButton", "value": "cn" } ]} |
|
Globals |
|
{ "serviceUrl": "..", "productionBuild": false, "isDashboardPollingEnabled": true} |
|
RegistrationSummaryDialog |
Client side configuration settings for the registration summary dialog |
[ { "label": "PCN" ,"referenceKey": "pcn" } ,{ "label": "CN" ,"referenceKey": "cn" } ,{ "label": "LN" ,"referenceKey": "ln" } ,{ "label": "LnbRef" ,"referenceKey": "lnbRef" } ] |
|
NavData |
Client side configuration settings for the navigation bar |
{ "mainMenu" : [ { "title": "Registration", "href": "/registration", "modal": false, "external": false, "rolesAllowed": ["AUTOREGISTER", "ADVANCED_AUTOREGISTER"] }, { "title": "Upload", "href": "/upload", "modal": false, "external": false, "rolesAllowed": ["BULKLOADER"] }, { "title": "Staging", "href": "/staging", "modal": false, "external": false, "rolesAllowed": ["STAGING_VIEW_SUBMISSION"] } ] ,"profileMenu" : [ { "title": "Profile", "href": "/profile", "modal": false, "external": false, "rolesAllowed": ["SELF_ADMINISTRATION"] }, { "title": "Administration", "href": "/admin", "modal": false, "external": false, "rolesAllowed": [ "ADD_SALT_SOLVATE", "ROLE_DICTIONARY_MODIFY", "USER_ADMINISTRATION" ] }, { "title": "Access Control", "href": "./accesscontrol.html", "modal": false, "external": true, "rolesAllowed": [ "USER_ADMINISTRATION", "ROLE_ACL_MODIFY_PROJECTS", "ROLE_ACL_MODIFY_PROJECTDETAILS" ] } ] ,"actionBar" : [ { "title": "Search", "href": "/search", "modal": false, "external": false, "image": "style/svg/search_48.svg", "rolesAllowed": ["SEARCH_STRUCTURES"] }, { "title": "Browse", "href": "/browse", "modal": false, "external": false, "image": "style/svg/browse_48.svg", "rolesAllowed": ["AMENDMENT_PAGE_READ"] } ]} |
|
HideSaltSolvates |
Salts and Solvates can be hidden from the UI, and also the salt/solvate upload from and SDFile is prohibited. |
false |
Downstream Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
PublishEnabled |
Controls if JMS publishing of changes is enabled |
true |
|
FusedImageFormat |
Image format for the fused structure in the published message |
mol:V3 |
Email Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
SendEmailNotification |
Controls if e-mail notification should be sent about the result of the registration |
false |
|
SendEmailNotificationToSpecifiedAddress |
Controls if e-mail notification should be sent to the address specified in the submission |
true |
|
EmailSenderAddress |
Displayed e-mail address from where the notifications are sent |
|
|
EmailTemplateSubmissionFeedback |
Velocity template of the e-mail content about the result of the registration |
submissionFeedback.vm |
|
EmailTemplateSubmissionAttemptFeedback |
Velocity template of the e-mail content about the result of the failed registration |
submissionAttemptFeedback.vm |
|
EmailTemplatePendingSubmissionNotification |
Velocity template of the e-mail content about the list of pending items in Staging area |
pendingSubmissionNotification.vm |
|
pendigSubmissionNotificationEnabled |
Controls if regular e-mails should be sent about the pending items in Staging area |
false |
|
pendingSubmissionTimeIntervalHours |
Length of time interval in hours after which a submission in Staging area is considered to be pending |
24 |
ID Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
IdGenerator |
Class name of the corporate ID generator |
com.chemaxon.registry.identifier.DefaultSequenceGenerator |
|
PcnAllocationLimit |
Maximum number of IDs that can be allocated for external use |
1000 |
|
IdProperties |
Configuration of the built-in ID generator #constant prefix/sufix of a parent identifier: pcn.cnst#pcn separator (if any): pcn.separator#increment type (Field.DataType enum value): pcn.increment#format placeholder for increment value#decimal format: pcn.increment.format#constant prefix/sufix of a version identifier: cn.cnst#cn separator (if any): cn.separator#increment type (Field.DataType enum value): cn.increment=STRING#format placeholder for increment value: cn.increment.format#specify structure field additional data format like this: additionalData.project: cn.str.field#cn is composed of PCN + cn increment#constant prefix/sufix of a lot identifier: ln.cnst#ln separator (if any): ln.separator#increment type (Field.DataType enum value): ln.increment#format placeholder for increment value: ln.increment.format#specify structure field additional data format like this: additionalData.project: ln.str.field#ln is composed of PCN + ln separator + ln increment ! make sure its unique |
{ |
Mixture Ranges Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
RangeDefinition |
Ranges and the number of maximum compounds can be defined for multi-component compounds. |
{ "ranges": [ { "id": 1, "name": "21-44%", "lowerLimit": 21, "upperLimit": 45 }, { "id": 2, "name": "45-55%", "lowerLimit": 45, "upperLimit": 55 }, { "id": 3, "name": "56-79%", "lowerLimit": 55, "upperLimit": 79 }, { "id": 4, "name": "X%", "lowerLimit": 0, "upperLimit": 0 }, { "id": 5, "name": "Y%", "lowerLimit": 0, "upperLimit": 0 }, { "id": 6, "name": "Z%", "lowerLimit": 0, "upperLimit": 0 } ]} |
Scheduler Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
PendingSubmissionsNotificationCronTimer |
|
0 0 0 * * MON-FRI |
|
DownstreamCronTimer |
|
*/5 * * * * MON-FRI |
Search Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
Parent |
- |
Parent
[{ "fieldName": "structure" ,"additional": false},{ "fieldName": "cst" ,"additional": false},{ "fieldName": "pcn_reg" ,"additional": false},{ "fieldName": "parentRegisteredBy" ,"additional": false},{ "fieldName": "parentCreatedOn" ,"additional": false},{ "fieldName": "mwtStructure" ,"additional": false},{ "fieldName": "mf" ,"additional": false}] |
|
Version |
|
Version
[{ "fieldName": "structure" ,"additional": false},{ "fieldName": "cst" ,"additional": false},{ "fieldName": "cn_reg" ,"additional": false},{ "fieldName": "versionRegisteredBy" ,"additional": false},{ "fieldName": "versionCreatedOn" ,"additional": false},{ "fieldName": "mwtVersionWithSalt" ,"additional": false},{ "fieldName": "mf" ,"additional": false}] |
|
Lot |
|
Lot
[{ "fieldName": "structure" ,"additional": false},{ "fieldName": "cst" ,"additional": false},{ "fieldName": "ln_reg" ,"additional": false},{ "fieldName": "lotRegisteredBy" ,"additional": false},{ "fieldName": "lotCreatedOn" ,"additional": false},{ "fieldName": "mwtVersionWithSalt" ,"additional": false},{ "fieldName": "mf" ,"additional": false}] |
Security Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
ProjectBasedFilteringEnabled |
If disabled, data can be accessed by anyone, regardless of the defined projects |
disabled |
|
Filter level: Preparation |
If ProjectBasedFilteringEnabled is ON and Preparation is set for the filter: after registering a lot, the user will able to access only those preparations (lots), for which he has specific Project access |
Preparation (default) |
|
Filter level: Version |
If ProjectBasedFilteringEnabled is ON and Version is set for the filter: after registering a lot, the user will able to access all preparations (lots), even though he has not specific Project access to all. |
Version |
|
Filter level: Parent |
If ProjectBasedFilteringEnabled is ON and Parent is set for the filter: after registering a lot, the user will able to access all preparations (lots) and versions, even though he has not specific Project access to all. |
Parent |
Standardizer Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
StandardizerGeneralConfig |
Standardizer configuration |
Default value
<?xml version="1.0" encoding="UTF-8"?><StandardizerConfiguration> <Actions> <Dearomatize ID="Dearomatize"/> <Sgroups ID="ExpandGroups" Exclude="Boc,Z,Ala,A" Act="Expand"/> <Transformation ID="Transform Nitro" Structure="[O-:2][N+:1]=[O:3]>>[O:2]=[N:1]=[O:3] |^1:1,4,(-6.41,.62,;-5.08,-.16,;-3.74,.62,;1.92,.31,;3.51,.31,;5,.31,)|" SearchOptions="sep=, undefinedRAtom:a"/> <Transformation ID="Transform Nitroso" Structure="[#6][NH2+:1][O;X1-:2]>>[#6][N:1]=[O:2] |(-7.95,.49,;-6.41,.49,;-5.64,1.83,;3.01,.26,;4.6,.26,;5.32,1.59,)|"/> <RemoveExplicitH ID="RemoveExplicitH" Lonely="false" Charged="false" Mapped="false" Isotopic="false" Radical="false" Wedged="false"/> </Actions></StandardizerConfiguration> |
|
StandardizerParentConfig |
Standardizer configuration used for the parent level – DO NOT MODIFY |
Default value
<?xml version="1.0" encoding="UTF-8"?><StandardizerConfiguration> <Actions> <Neutralize ID="Neutralize"/> <RemoveExplicitH ID="RemoveExplicitH" Lonely="false" Charged="false" Mapped="false" Isotopic="false" Radical="false" Wedged="false"/> </Actions></StandardizerConfiguration> |
Stereo Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
StereoCommentsConfig |
Logic of stereo comment generation – DO NOT MODIFY |
Default value
;TOTAL_DOUBLE_BONDS;CROSS_STRAIGHT;E;Z;MAJOR_DOUBLE_BOND;UNKNOWN_DOUBLE_BOND;TOTAL_STEREOCENTERS;MAJOR_STEREOCENTER;RESOLVED_KNOWN;RESOLVED_UNKNOWN_OR_FLAG;RESOLVED_UNKNOWN_KNOWN_RELATIVE;RACEMIC_AND_FLAG;RACEMIC_KNOWN_RELATIVEdb_none;0;;;;;;;;;;;;db_e;1;0;1;0;0;0;;;;;;;db_z;1;0;0;1;0;0;;;;;;;db_known;2;0;1;1;0;0;;;;;;;db_single_unknown;1;0;;;0;1;;;;;;;db_equal_mixture;1;1;;;0;0;;;;;;;db_unequal_mixture;1;;;;1;;;;;;;;db_unknown;1;1;;;;;;;;;;;sc_achiral;;;;;;;0;;;;;;sc_diastereomeric_mixture;;;;;;;2;0;;;;1;0sc_racemic_known_relative;;;;;;;2;0;;;;;2sc_racemic;;;;;;;1;0;0;0;0;1;sc_single_known;;;;;;;1;0;1;0;0;0;0sc_single_unknown;;;;;;;1;0;;1;0;0;0sc_single_unknown_known_relative;;;;;;;2;0;;;2;0;0sc_unequal_mixture;;;;;;;1;1;;;;; |
|
IncludeHeteroAtomInStereoAnalysis |
Controls whether to include hetero atoms in stereo analysis report |
false (default) |
Structure Checker Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
StructureCheckerConfig |
Source independent structure checker configuration (quality checks) |
Default value
<?xml version="1.0" encoding="UTF-8" standalone="no"?><checkers> <ThreeDimensionChecker FixMode="fix" FixerClassName="chemaxon.fixers.CleanFixer"/> <RareElementChecker FixMode="do_not_fix"/> <RadicalChecker FixMode="fix" FixerClassName="chemaxon.fixers.RemoveRadicalFixer"/> <MultiCenterChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.RemoveAtomFixer"/> <ValenceErrorChecker FixMode="fix" FixerClassName="chemaxon.fixers.ValenceFixer" allowTraditionalNitrogen="true"/> <CoordinationSystemErrorChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.RemoveBondFixer"/> <CovalentCounterionChecker FixMode="fix" FixerClassName="chemaxon.fixers.CovalentCounterionFixer"/> <SubstructureChecker FixMode="do_not_fix" name="Acylhalide_substructure_found" reactionSmarts="[Cl,Br,F,I]C=O "/></checkers> |
|
StructureCheckerConfig.BULKLOAD |
Structure checker configuration for the specified source |
Default value
<?xml version="1.0" encoding="UTF-8" standalone="no"?><checkers> <WigglyBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToSingleBondFixer"/> <CrossedDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/> <StraightDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/></checkers> |
|
StructureCheckerConfig.ELNB |
Structure checker configuration for the specified source |
Default value
<?xml version="1.0" encoding="UTF-8" standalone="no"?><checkers> <WigglyBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToSingleBondFixer"/> <CrossedDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/> <StraightDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/></checkers> |
|
StructureCheckerConfig.REGISTRAR |
Structure checker configuration for the specified source |
Default value
<?xml version="1.0" encoding="UTF-8" standalone="no"?><checkers> <WigglyBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToSingleBondFixer"/> <CrossedDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/> <StraightDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/></checkers> |
|
StructureCheckerConfig.WEBREG |
Structure checker configuration for the specified source |
Default value
<?xml version="1.0" encoding="UTF-8" standalone="no"?><checkers> <WigglyBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToSingleBondFixer"/> <CrossedDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/> <StraightDoubleBondChecker FixMode="do_not_fix" FixerClassName="chemaxon.fixers.ConvertToWigglyDoubleBondFixer"/></checkers> |
Structure Display Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
ShowCST |
Controls if CSTs should be displayed on the fused structure image |
true |
|
ShowsaltSolvate |
Controls if salts and solvates should be displayed on the fused structure image |
true |
|
ShowComponentPCN |
Controls if component PCNs should be displayed on the fused structure image |
true |
|
ShowRanges |
Controls if mixture ranges should be displayed on the fused structure image |
true |
|
ShowVersionLevel |
Controls if version level should be displayed on the Browse page |
true |
Switchers Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
SwitchersProperties |
System switcher configuration for all sources in java properties format ([SWITCHERNAME].[SOURCE]=[true/false]) |
SwitchersProperties
{ "REGISTER_NEW_LOTS.WEBREG": "true", "REJECT_DUPLICATED_IDS.ELNB": "true", "REGISTER_NEW_VERSIONS.ELNBCRO": "true", "REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNB": "false", "REGISTER_2D_TAUTOMER_PARENT_MATCHES.REGISTRAR": "false", "ANALYZE_SALT_SOLVATE_FRAGMENTS.REGISTRAR": "true", "REGISTER_2D_PARENT_MATCHES.ELNB": "false", "REGISTER_2D_PARENT_MATCHES.ELNBCRO": "false", "REGISTER_RESTRICTED_MATCHES.REGISTRAR": "false", "REGISTER_TAUTOMER_PARENT_MATCHES.ELNB": "false", "REGISTER_DICTIONARY_CST.ELNBCRO": "true", "REGISTER_NEW_VERSIONS.REGISTRAR": "true", "REGISTER_RESTRICTED_MATCHES.BULKLOAD": "false", "STEREO_COMMENT_CHECK.ELNBCRO": "false", "REGISTER_2D_TAUTOMER_PARENT_MATCHES.BULKLOAD": "false", "REGISTER_2D_TAUTOMER_PARENT_MATCHES.WEBREG": "false", "REJECT_DUPLICATED_IDS.WEBREG": "false", "ANALYZE_SALT_SOLVATE_FRAGMENTS.WEBREG": "true", "REJECT_DUPLICATED_IDS.REGISTRAR": "false", "PERFORM_QUALITY_CHECKS.BULKLOAD": "true", "REGISTER_RESTRICTED_MATCHES.WEBREG": "false", "REGISTER_TAUTOMER_PARENT_MATCHES.ELNBCRO": "false", "REGISTER_DICTIONARY_CST.WEBREG": "true", "REGISTER_TAUTOMER_PARENT_MATCHES.BULKLOAD": "false", "REGISTER_DICTIONARY_CST.BULKLOAD": "true", "REJECT_DUPLICATED_IDS.BULKLOAD": "false", "REGISTER_TAUTOMER_PARENT_MATCHES.WEBREG": "false", "REGISTER_NEW_VERSIONS.WEBREG": "true", "ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNBCRO": "true", "REGISTER_NEW_VERSIONS.BULKLOAD": "true", "STEREO_COMMENT_CHECK.ELNB": "false", "PERFORM_QUALITY_CHECKS.ELNBCRO": "true", "PERFORM_QUALITY_CHECKS.ELNB": "true", "REGISTER_NEW_LOTS.ELNBCRO": "true", "REGISTER_2D_PARENT_MATCHES.WEBREG": "true", "REGISTER_NEW_LOTS.REGISTRAR": "true", "STEREO_COMMENT_CHECK.WEBREG": "true", "STEREO_COMMENT_CHECK.REGISTRAR": "false", "REJECT_DUPLICATED_IDS.ELNBCRO": "true", "REGISTER_RESTRICTED_MATCHES.ELNB": "false", "REGISTER_2D_PARENT_MATCHES.REGISTRAR": "true", "STEREO_COMMENT_CHECK.BULKLOAD": "false", "REGISTER_TAUTOMER_PARENT_MATCHES.REGISTRAR": "false", "REGISTER_RESTRICTED_MATCHES.ELNBCRO": "false", "REGISTER_NEW_LOTS.ELNB": "true", "PERFORM_QUALITY_CHECKS.WEBREG": "true", "REGISTER_NEW_LOTS.BULKLOAD": "true", "REGISTER_2D_TAUTOMER_PARENT_MATCHES.ELNBCRO": "false", "REGISTER_DICTIONARY_CST.ELNB": "true", "REGISTER_2D_PARENT_MATCHES.BULKLOAD": "true", "ANALYZE_SALT_SOLVATE_FRAGMENTS.ELNB": "true", "PERFORM_QUALITY_CHECKS.REGISTRAR": "true", "REGISTER_NEW_VERSIONS.ELNB": "true", "REGISTER_DICTIONARY_CST.REGISTRAR": "true", "ANALYZE_SALT_SOLVATE_FRAGMENTS.BULKLOAD": "false"} |
Validation Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
ValidateSource |
Controls if source should be validated during the registration |
true |
|
ValidSources |
List of valid sources |
["REGISTRAR","ELNB","BULKLOAD","WEBREG"] |
|
ValidateLNBRef |
Controls if LnbRef should be validated against the regular expressions during the registration |
true |
|
ValidateLnbRefRegexp |
List of regular expressions used to validate the submitted LnbRef |
^[N]{1}[0-9]{3,6}-[0-9]{1,4}-[0-9]{1,4}$ |
|
ValidateLotId |
Controls if the existence of Lot ID should be validated during the registration |
false |
|
ValidateLotIdUnique |
Controls if the uniqueness of Lot ID should be validated during the registration |
true |
|
RoundMultiplicity |
Controls if salt/solvate multiplicity should be rounded during the registration |
true |
|
SaltMultiplicityScale |
Number of decimal places in salt multiplicity |
0 |
|
SolvateMultiplicityScale |
Number of decimal places in solvate multiplicity |
1 |
|
PositiveChargeCheck |
Controls whether the check for stuctures with positive charges should be enabled |
true |
|
UnbalancedChargeCheck |
Controls whether the check for unbalanced charges should be enabled |
true |
|
MaxMixtureComponentCount |
Maximum number of components in a multi-component structure |
4 |
|
RegisterVirtualCompound |
|
true |
Workflow Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
WorkflowSteps (Default) |
|
[ ] |
|
WorkflowSteps (AMEND_PARENT) |
Workflow steps when changing the parent |
AmendmentIdTypeValidator,IdExistsValidator,ParentFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,ParentMultiplicityValidator,ChargeValidator,AmfValidator,RejectParentStructureTypeChangeValidator,SingleStructureValidator,StructureChangeForAmendmentValidator |
|
WorkflowSteps (REGISTER_MANUAL) |
Workflow steps when registering from the Submission page |
SourceValidator,LotIdValidator,LnbRefValidator,LnbRefChangeValidation,FieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,SaltFragmentsValidator,ChargeValidator,StructureQualityCheckerValidator,StereoCommentsGenerator |
|
WorkflowSteps (REGISTER_AUTO) |
Workflow steps when registering from the Registration page |
SourceValidator,LotIdValidator,LnbRefValidator,ToBeReviewedValidator,RejectMarkushValidator,FieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,SaltFragmentsValidator,ChargeValidator,StructureCheckerValidator,StructureQualityCheckerValidator,SaltFragmentsValidator,StereoCommentsValidator |
|
WorkflowSteps (AMEND_LOT) |
Workflow steps when changing the lot |
AmendmentIdTypeValidator,IdExistsValidator,PreparationFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,ChargeValidator,StructureQualityCheckerValidator,StructureChangeForAmendmentValidator |
|
WorkflowSteps (AMEND_VERSION) |
Workflow steps when changing the version |
AmendmentIdTypeValidator,IdExistsValidator,VersionFieldValidator,FieldGenerator,EmptyStructureValidator,MarkushStructureValidator,StandardizerErrorValidator,AmfValidator,SaltSolvateValidator,ParentMultiplicityValidator,ChargeValidator,StructureChangeForAmendmentValidator |
|
WorkflowSteps (REGISTER_LOT) |
Workflow steps when using the Register lot option (from the Registration/Submission/Browse pages) |
RegisterLotValidator,LotIdValidator,LnbRefValidator,LnbRefChangeValidation,FieldValidator,FieldGenerator |
Structure Editor Configuration
|
PARAMETER |
COMMENTS |
DATA |
|
EditorType (Default) |
The default structure editor can be set |
"MARVIN_JS" |