From 63f5f312aeddd43b46b70103430a110d4921f6c9 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:26:00 +0100
Subject: [PATCH 01/10] New shebang line to cope with bash not at /bin/bash

---
 bin/add_schema_status_stmts.sh   | 2 +-
 bin/db_procs_to_rst.sh           | 2 +-
 bin/db_tables_to_rst.sh          | 2 +-
 bin/export_session.sh            | 2 +-
 bin/forget_all_labs.sh           | 2 +-
 bin/forget_all_persons.sh        | 2 +-
 bin/forget_lab.sh                | 2 +-
 bin/forget_pdb.sh                | 2 +-
 bin/forget_person.sh             | 2 +-
 bin/forget_protein.sh            | 2 +-
 bin/forget_sample.sh             | 2 +-
 bin/forget_shipping.sh           | 2 +-
 bin/forget_subsample.sh          | 2 +-
 bin/forget_unused_shipments.sh   | 2 +-
 bin/mdb_cluster_backup.sh        | 2 +-
 release.sh                       | 2 +-
 schemas/ispyb_analytics/build.sh | 2 +-
 17 files changed, 17 insertions(+), 17 deletions(-)

diff --git a/bin/add_schema_status_stmts.sh b/bin/add_schema_status_stmts.sh
index b0566e96..821231ef 100755
--- a/bin/add_schema_status_stmts.sh
+++ b/bin/add_schema_status_stmts.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 fname=$(basename ${1})
 
diff --git a/bin/db_procs_to_rst.sh b/bin/db_procs_to_rst.sh
index f382398f..6125f54c 100755
--- a/bin/db_procs_to_rst.sh
+++ b/bin/db_procs_to_rst.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 db=$1
 
diff --git a/bin/db_tables_to_rst.sh b/bin/db_tables_to_rst.sh
index c821da45..e4e3f749 100755
--- a/bin/db_tables_to_rst.sh
+++ b/bin/db_tables_to_rst.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 db=$1
 mysql --defaults-file=../.my.cnf -D $db --skip-column-names --batch --raw < sql/db_tables_to_tsv.sql > /tmp/tmp1.tsv
diff --git a/bin/export_session.sh b/bin/export_session.sh
index bc8aa802..315038d8 100755
--- a/bin/export_session.sh
+++ b/bin/export_session.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Usage:
 # export_session.sh <.cnf file> <db_name> <proposalCode><proposalNumber> <session number> <output dir>
diff --git a/bin/forget_all_labs.sh b/bin/forget_all_labs.sh
index d0f5ffd2..7134d79c 100755
--- a/bin/forget_all_labs.sh
+++ b/bin/forget_all_labs.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes details about laboratories on a particular proposal
 # and session.
diff --git a/bin/forget_all_persons.sh b/bin/forget_all_persons.sh
index 8ee206dd..d82e8824 100755
--- a/bin/forget_all_persons.sh
+++ b/bin/forget_all_persons.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Caution: This script attempts to remove all Personally Identifiable
 # Information (PII) in the given ispyb database for the given proposal
diff --git a/bin/forget_lab.sh b/bin/forget_lab.sh
index 45e67f79..2eda0f9c 100755
--- a/bin/forget_lab.sh
+++ b/bin/forget_lab.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes details about a particular laboratory.
 # Usage:
diff --git a/bin/forget_pdb.sh b/bin/forget_pdb.sh
index 7878efcc..d6c5b2f3 100755
--- a/bin/forget_pdb.sh
+++ b/bin/forget_pdb.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes information for a particular PDB.
 #
diff --git a/bin/forget_person.sh b/bin/forget_person.sh
index 37b0bc66..f5885724 100755
--- a/bin/forget_person.sh
+++ b/bin/forget_person.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes Personally Identifiable Information (PII) for a particular person.
 #
diff --git a/bin/forget_protein.sh b/bin/forget_protein.sh
index 415ecc28..a40e7673 100755
--- a/bin/forget_protein.sh
+++ b/bin/forget_protein.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes information for a particular protein.
 #
diff --git a/bin/forget_sample.sh b/bin/forget_sample.sh
index 11c6f842..b216af86 100755
--- a/bin/forget_sample.sh
+++ b/bin/forget_sample.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes information for a particular sample (BLSample).
 #
diff --git a/bin/forget_shipping.sh b/bin/forget_shipping.sh
index 381edd15..72e2f3e1 100755
--- a/bin/forget_shipping.sh
+++ b/bin/forget_shipping.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes information for a particular shipping.
 #
diff --git a/bin/forget_subsample.sh b/bin/forget_subsample.sh
index 0c353c3e..044f5be8 100755
--- a/bin/forget_subsample.sh
+++ b/bin/forget_subsample.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes information for a particular sub-sample (BLSubSample).
 #
diff --git a/bin/forget_unused_shipments.sh b/bin/forget_unused_shipments.sh
index 87ca6aaf..2990ebfc 100755
--- a/bin/forget_unused_shipments.sh
+++ b/bin/forget_unused_shipments.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # This script removes all descriptive information related to shipments for
 # a particular proposal, except that related to samples on which data was
diff --git a/bin/mdb_cluster_backup.sh b/bin/mdb_cluster_backup.sh
index 9f9592d1..c4560a89 100755
--- a/bin/mdb_cluster_backup.sh
+++ b/bin/mdb_cluster_backup.sh
@@ -1,4 +1,4 @@
-#!/bin/bash 
+#!/usr/bin/env bash
 
 # This script assumes a MariaDB Galera Cluster with read-write split. The
 # script must be run locally on one of the database read nodes.
diff --git a/release.sh b/release.sh
index 2505192c..c417d4ad 100755
--- a/release.sh
+++ b/release.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Script to make a release from code currently in the repo if none exists for
 # the current schema version.
diff --git a/schemas/ispyb_analytics/build.sh b/schemas/ispyb_analytics/build.sh
index be0adf30..6e3464a3 100755
--- a/schemas/ispyb_analytics/build.sh
+++ b/schemas/ispyb_analytics/build.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Exit on first error incl. pipeline errors
 set -eo pipefail

From 9c600ca97df476decf56978451f7cf8267315202 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:26:44 +0100
Subject: [PATCH 02/10] New script to identify updates that havent been run

---
 bin/missed_updates.sh | 32 ++++++++++++++++++++++++++++++++
 1 file changed, 32 insertions(+)
 create mode 100755 bin/missed_updates.sh

diff --git a/bin/missed_updates.sh b/bin/missed_updates.sh
new file mode 100755
index 00000000..8dd84e94
--- /dev/null
+++ b/bin/missed_updates.sh
@@ -0,0 +1,32 @@
+#!/usr/bin/env bash
+
+# Get the database name
+if [ -z "${DB}" ]
+then
+  DB="ispyb_build"
+fi
+
+# Get this scripts dir
+dir=$(dirname $(realpath -e ${0}))
+
+# Get the project'r root dir
+project_root=$(dirname "${dir}")
+
+# Load some function definitions in case we need them
+source ${project_root}/bin/functions.sh
+
+# Get a list of all update files
+all_sql_files=`cd ${project_root}/schemas/ispyb/updates && ls *.sql && cd ../..`
+
+# Get a list of all update files recorded in the SchemaStatus table
+done_sql_files=`mysql --defaults-file=${project_root}/.my.cnf -D $DB --skip-column-names --silent --raw -e "SELECT scriptName FROM SchemaStatus WHERE schemaStatus = 'DONE' ORDER BY recordTimeStamp;"`
+
+# Make a list of all update files not recorded in the SchemaStatus table
+arr=()
+while read -r sql_file; do
+  contains "$done_sql_files" "$sql_file"
+  if [[ $? -ne 0 ]]
+  then
+    echo "$sql_file"
+  fi
+done <<< "$all_sql_files"

From 506abed5c617dcc51ba18f692d421156f294a780 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:28:50 +0100
Subject: [PATCH 03/10] New shebang line and --add-drop-trigger when generating
 "create trigger" for routines.sql

---
 bin/backup.sh | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/bin/backup.sh b/bin/backup.sh
index 265a4156..6fe06912 100755
--- a/bin/backup.sh
+++ b/bin/backup.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Usage example:
 # backup.sh ../dbbackups

From 95e46f8bf2127dd902b4bb7fff29a0ce7841669d Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:31:07 +0100
Subject: [PATCH 04/10] New shebang line, use new script bin/missed_updates.sh
 instead of own code

---
 build.sh | 50 +++++++++++++++++++-------------------------------
 1 file changed, 19 insertions(+), 31 deletions(-)

diff --git a/build.sh b/build.sh
index 98598854..313ec20f 100755
--- a/build.sh
+++ b/build.sh
@@ -1,4 +1,4 @@
-#!/bin/bash
+#!/usr/bin/env bash
 
 # Script to create the database from the schema .sql files and identify any
 # update .sql files that haven't been run. Also generate documentation from
@@ -11,44 +11,32 @@
 
 source bin/functions.sh
 
-if [ -z "${db}" ]
+if [ -z "${DB}" ]
 then
-  db="ispyb_build"
+  DB="ispyb_build"
 fi
 
 echo "Dropping + creating build database"
-mysql --defaults-file=.my.cnf -e "DROP DATABASE IF EXISTS $db; CREATE DATABASE $db; SET GLOBAL log_bin_trust_function_creators=ON;"
+mysql --defaults-file=.my.cnf -e "DROP DATABASE IF EXISTS $DB; CREATE DATABASE $DB; SET GLOBAL log_bin_trust_function_creators=ON;"
 
 if [[ $? -eq 0 ]]
 then
-  mysql --defaults-file=.my.cnf -D $db < schemas/ispyb/tables.sql
-  mysql --defaults-file=.my.cnf -D $db < schemas/ispyb/lookups.sql
-  mysql --defaults-file=.my.cnf -D $db < schemas/ispyb/data.sql
-  mysql --defaults-file=.my.cnf -D $db < schemas/ispyb/routines.sql
-  mysql --defaults-file=.my.cnf -D $db < grants/ispyb_acquisition.sql
-  mysql --defaults-file=.my.cnf -D $db < grants/ispyb_processing.sql
-  mysql --defaults-file=.my.cnf -D $db < grants/ispyb_web.sql
-  mysql --defaults-file=.my.cnf -D $db < grants/ispyb_import.sql
+  mysql --defaults-file=.my.cnf -D $DB < schemas/ispyb/tables.sql
+  mysql --defaults-file=.my.cnf -D $DB < schemas/ispyb/lookups.sql
+  mysql --defaults-file=.my.cnf -D $DB < schemas/ispyb/data.sql
+  mysql --defaults-file=.my.cnf -D $DB < schemas/ispyb/routines.sql
+  mysql --defaults-file=.my.cnf -D $DB < grants/ispyb_acquisition.sql
+  mysql --defaults-file=.my.cnf -D $DB < grants/ispyb_processing.sql
+  mysql --defaults-file=.my.cnf -D $DB < grants/ispyb_web.sql
+  mysql --defaults-file=.my.cnf -D $DB < grants/ispyb_import.sql
 
-  # Identify update .sql files that haven't been run, and run them
-  all_sql_files=`cd schemas/ispyb/updates && ls *.sql && cd ../..`
-
-  done_sql_files=`mysql --defaults-file=.my.cnf -D $db --skip-column-names --silent --raw -e "SELECT scriptName FROM SchemaStatus WHERE schemaStatus = 'DONE' ORDER BY recordTimeStamp;"`
-
-  arr=()
-  while read -r sql_file; do
-    contains "$done_sql_files" "$sql_file"
-    if [[ $? -ne 0 ]]
-    then
-      arr+=("$sql_file")
-      mysql --defaults-file=.my.cnf -D $db < schemas/ispyb/updates/$sql_file
-    fi
-  done <<< "$all_sql_files"
+  arr=$(bin/missed_updates.sh)
 
   if [ -n "$arr" ]; then
-    echo "The following schemas/ispyb/updates/*.sql files were sourced:"
-    for val in "${arr[@]}"; do
-      echo "$val"
+    echo "Running schemas/ispyb/updates/*.sql files that haven't yet been run:"
+    for sql_file in ${arr[@]}; do
+      echo "$sql_file"
+      mysql --defaults-file=.my.cnf -D ${DB} < "schemas/ispyb/updates/${sql_file}"
     done
   else
     echo "No new schemas/ispyb/updates/*.sql files."
@@ -57,8 +45,8 @@ then
   # Generate table and sproc documentation
   if [ -d "bin" ] && [ -d "docs" ]; then
     cd bin
-    ./db_procs_to_rst.sh $db > ../docs/list_of_procs.rst
-    ./db_tables_to_rst.sh $db > ../docs/list_of_tables_and_columns.rst
+    ./db_procs_to_rst.sh $DB > ../docs/list_of_procs.rst
+    ./db_tables_to_rst.sh $DB > ../docs/list_of_tables_and_columns.rst
     cd ..
   fi
 

From 36b0bef4e550eef46878d7ef17c68393e6af53ac Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:34:32 +0100
Subject: [PATCH 05/10] Updates list of tables+cols

---
 docs/list_of_tables_and_columns.rst | 17 ++++++++++-------
 1 file changed, 10 insertions(+), 7 deletions(-)

diff --git a/docs/list_of_tables_and_columns.rst b/docs/list_of_tables_and_columns.rst
index 60af81fa..d7efa316 100644
--- a/docs/list_of_tables_and_columns.rst
+++ b/docs/list_of_tables_and_columns.rst
@@ -1317,26 +1317,29 @@
    ``y``,float,""
    **ParticleClassification**,table,"Results of 2D or 2D classification"
    ``particleClassificationId``,int,""
-   ``particlePickerId``,int,""
-   ``type``,enum,"Indicates the type of particle classification"
-   ``batchNumber``,int,"Corresponding to batch number"
    ``classNumber``,int,"Identified of the class. A unique ID given by Relion"
    ``classImageFullPath``,varchar,"The PNG of the class"
-   ``numberOfParticlesPerBatch``,int,"total number of particles per batch (a large integer)"
-   ``numberOfClassesPerBatch``,int,""
    ``particlesPerClass``,int,"Number of particles within the selected class, can then be used together with the total number above to calculate the percentage"
    ``rotationAccuracy``,int,"???"
    ``translationAccuracy``,float,"Unit: Angstroms"
    ``estimatedResolution``,float,"???, Unit: Angstroms"
    ``overallFourierCompleteness``,float,""
+   ``particleClassificationGroupId``,int,""
+   **ParticleClassificationGroup**,table,""
+   ``particleClassificationGroupId``,int,""
+   ``particlePickerId``,int,""
+   ``programId``,int,""
+   ``type``,enum,"Indicates the type of particle classification"
+   ``batchNumber``,int,"Corresponding to batch number"
+   ``numberOfParticlesPerBatch``,int,"total number of particles per batch (a large integer)"
+   ``numberOfClassesPerBatch``,int,""
    ``symmetry``,varchar,""
    **ParticleClassification_has_CryoemInitialModel**,table,""
    ``particleClassificationId``,int,""
    ``cryoemInitialModelId``,int,""
    **ParticlePicker**,table,"An instance of a particle picker program that was run"
    ``particlePickerId``,int,""
-   ``particlePickerProgramId``,int,""
-   ``particleClassificationProgramId``,int,""
+   ``programId``,int,""
    ``firstMotionCorrectionId``,int,""
    ``particlePickingTemplate``,varchar,"Cryolo model"
    ``particleDiameter``,float,"Unit: nm"

From 82ffa6f2282c5d8e3b7b2dc5caebe82e6264f6c7 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:35:26 +0100
Subject: [PATCH 06/10] Bump version, new schema files

---
 schemas/ispyb/data.sql                        | 13 ++-
 schemas/ispyb/lookups.sql                     |  8 +-
 schemas/ispyb/routines.sql                    | 96 +++++++++++--------
 schemas/ispyb/tables.sql                      | 57 ++++++-----
 .../2021_04_13_AdminVar_bump_version.sql      |  5 +
 5 files changed, 108 insertions(+), 71 deletions(-)
 create mode 100644 schemas/ispyb/updates/2021_04_13_AdminVar_bump_version.sql

diff --git a/schemas/ispyb/data.sql b/schemas/ispyb/data.sql
index 6d4e1e19..dc1bf056 100644
--- a/schemas/ispyb/data.sql
+++ b/schemas/ispyb/data.sql
@@ -427,7 +427,7 @@ INSERT INTO `ContainerRegistry` (`containerRegistryId`, `barcode`, `comments`, `
 --
 
 /*!40000 ALTER TABLE `ContainerType` DISABLE KEYS */;
-INSERT INTO `ContainerType` (`containerTypeId`, `name`, `proposalType`, `active`, `capacity`, `wellPerRow`, `dropPerWellX`, `dropPerWellY`, `dropHeight`, `dropWidth`, `dropOffsetX`, `dropOffsetY`, `wellDrop`) VALUES (1,'B21_8+1','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(2,'B21_96','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(3,'B21_1tube','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(4,'I22_Capillary_Rack_20','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(5,'I22_Grid_100','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(6,'I22_Grid_45','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(7,'P38_Capillary_Rack_27','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(8,'P38_Solids','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(9,'P38_Powder','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(10,'B22_6','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(11,'I11_Capillary_Rack_6','scm',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(12,'Puck','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(13,'ReferencePlate','mx',1,16,2,1,1,1,1,0,0,-1),(14,'CrystalQuickX','mx',1,192,12,2,1,0.5,1,0,0,-1),(15,'MitegenInSitu','mx',1,192,12,2,1,0.5,1,0,0,-1),(16,'FilmBatch','mx',1,96,12,1,1,1,1,0,0,-1),(17,'MitegenInSitu_3_Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(18,'Greiner 3 Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(19,'MRC Maxi','mx',1,48,6,1,1,1,0.5,0,0,-1),(20,'MRC 2 Drop','mx',1,192,12,1,2,1,0.5,0.5,0,-1),(21,'Griener 1536','mx',1,1536,12,4,4,1,1,0,0,-1),(22,'3 Drop Square','mx',1,288,12,2,2,1,1,0,0,3),(23,'SWISSCI 3 Drop','mx',1,288,12,2,2,1,1,0,0,1),(24,'1 drop','mx',1,96,12,1,1,0.5,0.5,0,0,-1),(25,'LCP Glass','mx',1,96,12,1,1,1,1,0,0,-1),(26,'PCRStrip','scm',1,9,9,1,1,1,1,0,0,-1);
+INSERT INTO `ContainerType` (`containerTypeId`, `name`, `proposalType`, `active`, `capacity`, `wellPerRow`, `dropPerWellX`, `dropPerWellY`, `dropHeight`, `dropWidth`, `dropOffsetX`, `dropOffsetY`, `wellDrop`) VALUES (1,'B21_8+1','saxs',1,9,9,1,1,1,1,0,0,-1),(2,'B21_96','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(3,'B21_1tube','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(4,'I22_Capillary_Rack_20','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(5,'I22_Grid_100','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(6,'I22_Grid_45','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(7,'P38_Capillary_Rack_27','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(8,'P38_Solids','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(9,'P38_Powder','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(10,'B22_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(11,'I11_Capillary_Rack_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(12,'Puck','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(13,'ReferencePlate','mx',1,16,2,1,1,1,1,0,0,-1),(14,'CrystalQuickX','mx',1,192,12,2,1,0.5,1,0,0,-1),(15,'MitegenInSitu','mx',1,192,12,2,1,0.5,1,0,0,-1),(16,'FilmBatch','mx',1,96,12,1,1,1,1,0,0,-1),(17,'MitegenInSitu_3_Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(18,'Greiner 3 Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(19,'MRC Maxi','mx',1,48,6,1,1,1,0.5,0,0,-1),(20,'MRC 2 Drop','mx',1,192,12,1,2,1,0.5,0.5,0,-1),(21,'Griener 1536','mx',1,1536,12,4,4,1,1,0,0,-1),(22,'3 Drop Square','mx',1,288,12,2,2,1,1,0,0,3),(23,'SWISSCI 3 Drop','mx',1,288,12,2,2,1,1,0,0,1),(24,'1 drop','mx',1,96,12,1,1,0.5,0.5,0,0,-1),(25,'LCP Glass','mx',1,96,12,1,1,1,1,0,0,-1),(26,'PCRStrip','saxs',1,9,9,1,1,1,1,0,0,-1),(27,'Basket','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(28,'Cane','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(29,'Terasaki72','mx',0,72,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(30,'Puck-16','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(31,'Block-4','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(32,'Box','xpdf',1,25,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(33,'Puck','xpdf',1,22,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL);
 /*!40000 ALTER TABLE `ContainerType` ENABLE KEYS */;
 
 --
@@ -596,7 +596,7 @@ INSERT INTO `EnergyScan` (`energyScanId`, `sessionId`, `blSampleId`, `fluorescen
 --
 
 /*!40000 ALTER TABLE `ExperimentType` DISABLE KEYS */;
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 /*!40000 ALTER TABLE `SchemaStatus` ENABLE KEYS */;
 
 --
@@ -172,7 +172,7 @@ INSERT INTO `BLSampleImageAutoScoreClass` (`blSampleImageAutoScoreClassId`, `blS
 --
 
 /*!40000 ALTER TABLE `SpaceGroup` DISABLE KEYS */;
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2','cP',NULL,NULL,NULL,0),(209,209,'F432','F4 3 2','cF',NULL,NULL,NULL,0),(210,210,'F4132','F41 3 2','cF',NULL,NULL,NULL,0),(211,211,'I432','I4 3 2','cI',NULL,NULL,NULL,0),(212,212,'P4332','P43 3 2','cP',NULL,NULL,NULL,0),(213,213,'P4132','P41 3 2','cP',NULL,NULL,NULL,0),(214,214,'I4132','I41 3 2','cI',NULL,NULL,NULL,0),(215,215,'P-43m','P-4 3 m',NULL,NULL,NULL,NULL,0),(216,216,'F-43m','F-4 3 m',NULL,NULL,NULL,NULL,0),(217,217,'I-43m','I-4 3 m',NULL,NULL,NULL,NULL,0),(218,218,'P-43n','P-4 3 n',NULL,NULL,NULL,NULL,0),(219,219,'F-43c','F-4 3 c',NULL,NULL,NULL,NULL,0),(220,220,'I-43d','I-4 3 d',NULL,NULL,NULL,NULL,0),(221,221,'Pm-3m','Pm -3 m',NULL,NULL,NULL,NULL,0),(222,222,'Pn-3n','Pn -3 n',NULL,NULL,NULL,NULL,0),(223,223,'Pm-3n1','Pm -3 n1',NULL,NULL,NULL,NULL,0),(224,224,'Pn-3m1','Pn -3 m1',NULL,NULL,NULL,NULL,0),(225,225,'Fm-3m','Fm -3 m',NULL,NULL,NULL,NULL,0),(226,226,'Fm-3c','Fm -3 c',NULL,NULL,NULL,NULL,0),(227,227,'Fd-3m1','Fd -3 m1',NULL,NULL,NULL,NULL,0),(228,228,'Fd-3c1','Fd -3 c1',NULL,NULL,NULL,NULL,0),(229,229,'Im-3m','Im -3 m',NULL,NULL,NULL,NULL,0),(230,230,'Ia-3d1','Ia -3 d1',NULL,NULL,NULL,NULL,0);
+INSERT INTO `SpaceGroup` (`spaceGroupId`, `spaceGroupNumber`, `spaceGroupShortName`, `spaceGroupName`, `bravaisLattice`, `bravaisLatticeName`, `pointGroup`, `geometryClassnameId`, `MX_used`) VALUES (1,1,'P1','P 1','aP',NULL,NULL,NULL,1),(2,2,'P-1','P-1',NULL,NULL,NULL,NULL,1),(3,3,'P121','P 12 1','mP',NULL,NULL,NULL,1),(4,4,'P1211','P 121 1','mP',NULL,NULL,NULL,1),(5,5,'C121','C 12 1','mC,mI',NULL,NULL,NULL,1),(6,6,'P1m1','P 1m 1',NULL,NULL,NULL,NULL,1),(7,7,'P1c1','P 1c 1',NULL,NULL,NULL,NULL,1),(8,8,'C1m1','C 1m 1',NULL,NULL,NULL,NULL,1),(9,9,'C1c1','C 1c 1',NULL,NULL,NULL,NULL,1),(10,10,'P12/m1','P 12/m 1',NULL,NULL,NULL,NULL,1),(11,11,'P121/m1','P 121/m 1',NULL,NULL,NULL,NULL,1),(12,12,'C12/m1','C 12/m 1',NULL,NULL,NULL,NULL,1),(13,13,'P12/c1','P 12/c 1',NULL,NULL,NULL,NULL,1),(14,14,'P121/c1','P 121/c 1',NULL,NULL,NULL,NULL,1),(15,15,'C12/c1','C 12/c 1',NULL,NULL,NULL,NULL,1),(16,16,'P222','P 22 2','oP',NULL,NULL,NULL,1),(17,17,'P2221','P 22 21','oP',NULL,NULL,NULL,1),(18,18,'P21212','P21 21 2','oP',NULL,NULL,NULL,1),(19,19,'P212121','P21 21 21','oP',NULL,NULL,NULL,1),(20,20,'C2221','C 22 21','oC',NULL,NULL,NULL,1),(21,21,'C222','C 22 2','oC',NULL,NULL,NULL,1),(22,22,'F222','F 22 2','oF',NULL,NULL,NULL,1),(23,23,'I222','I 22 2','oI',NULL,NULL,NULL,1),(24,24,'I212121','I21 21 21','oI',NULL,NULL,NULL,1),(25,25,'Pmm2','P mm 2',NULL,NULL,NULL,NULL,1),(26,26,'Pmc21','P mc 21',NULL,NULL,NULL,NULL,1),(27,27,'Pcc2','P cc 2',NULL,NULL,NULL,NULL,1),(28,28,'Pma2','P ma 2',NULL,NULL,NULL,NULL,1),(29,29,'Pca21','P ca 21',NULL,NULL,NULL,NULL,1),(30,30,'Pnc2','P nc 2',NULL,NULL,NULL,NULL,1),(31,31,'Pmn21','P mn 21',NULL,NULL,NULL,NULL,1),(32,32,'Pba2','P ba 2',NULL,NULL,NULL,NULL,1),(33,33,'Pna21','P na 21',NULL,NULL,NULL,NULL,1),(34,34,'Pnn2','P nn 2',NULL,NULL,NULL,NULL,1),(35,35,'Cmm2','C mm 2',NULL,NULL,NULL,NULL,1),(36,36,'Cmc21','C mc 21',NULL,NULL,NULL,NULL,1),(37,37,'Ccc2','C cc 2',NULL,NULL,NULL,NULL,1),(38,38,'Amm2','A mm 2',NULL,NULL,NULL,NULL,1),(39,39,'Abm2','A bm 2',NULL,NULL,NULL,NULL,1),(40,40,'Ama2','A ma 2',NULL,NULL,NULL,NULL,1),(41,41,'Aba2','A ba 2',NULL,NULL,NULL,NULL,1),(42,42,'Fmm2','F mm 2',NULL,NULL,NULL,NULL,1),(43,43,'Fdd2','F dd 2',NULL,NULL,NULL,NULL,1),(44,44,'Imm2','I mm 2',NULL,NULL,NULL,NULL,1),(45,45,'Iba2','I ba 2',NULL,NULL,NULL,NULL,1),(46,46,'Ima2','I ma 2',NULL,NULL,NULL,NULL,1),(47,47,'Pmmm','P mm m',NULL,NULL,NULL,NULL,1),(48,48,'Pnnn','P nn n',NULL,NULL,NULL,NULL,1),(49,49,'Pccm','P cc m',NULL,NULL,NULL,NULL,1),(50,50,'Pban','P ba n',NULL,NULL,NULL,NULL,1),(51,51,'Pmma1','P mm a1',NULL,NULL,NULL,NULL,1),(52,52,'Pnna1','P nn a1',NULL,NULL,NULL,NULL,1),(53,53,'Pmna1','P mn a1',NULL,NULL,NULL,NULL,1),(54,54,'Pcca1','P cc a1',NULL,NULL,NULL,NULL,1),(55,55,'Pbam1','P ba m1',NULL,NULL,NULL,NULL,1),(56,56,'Pccn1','P cc n1',NULL,NULL,NULL,NULL,1),(57,57,'Pbcm1','P bc m1',NULL,NULL,NULL,NULL,1),(58,58,'Pnnm1','P nn m1',NULL,NULL,NULL,NULL,1),(59,59,'Pmmn1','P mm n1',NULL,NULL,NULL,NULL,1),(60,60,'Pbcn1','P bc n1',NULL,NULL,NULL,NULL,1),(61,61,'Pbca1','P bc a1',NULL,NULL,NULL,NULL,1),(62,62,'Pnma1','P nm a1',NULL,NULL,NULL,NULL,1),(63,63,'Cmcm1','C mc m1',NULL,NULL,NULL,NULL,1),(64,64,'Cmca1','C mc a1',NULL,NULL,NULL,NULL,1),(65,65,'Cmmm','C mm m',NULL,NULL,NULL,NULL,1),(66,66,'Cccm','C cc m',NULL,NULL,NULL,NULL,1),(67,67,'Cmma','C mm a',NULL,NULL,NULL,NULL,1),(68,68,'Ccca','C cc a',NULL,NULL,NULL,NULL,1),(69,69,'Fmmm','F mm m',NULL,NULL,NULL,NULL,1),(70,70,'Fddd','F dd d',NULL,NULL,NULL,NULL,1),(71,71,'Immm','I mm m',NULL,NULL,NULL,NULL,1),(72,72,'Ibam','I ba m',NULL,NULL,NULL,NULL,1),(73,73,'Ibca1','I b c a1',NULL,NULL,NULL,NULL,1),(74,74,'Imma1','I mm a1',NULL,NULL,NULL,NULL,1),(75,75,'P4','P4','tP',NULL,NULL,NULL,1),(76,76,'P41','P41','tP',NULL,NULL,NULL,1),(77,77,'P42','P42','tP',NULL,NULL,NULL,1),(78,78,'P43','P43','tP',NULL,NULL,NULL,1),(79,79,'I4','I4','tI',NULL,NULL,NULL,1),(80,80,'I41','I41','tI',NULL,NULL,NULL,1),(81,81,'P-4','P-4',NULL,NULL,NULL,NULL,1),(82,82,'I-4','I-4',NULL,NULL,NULL,NULL,1),(83,83,'P4/m','P4/m',NULL,NULL,NULL,NULL,1),(84,84,'P42/m','P42/m',NULL,NULL,NULL,NULL,1),(85,85,'P4/n','P4/n',NULL,NULL,NULL,NULL,1),(86,86,'P42/n','P42/n',NULL,NULL,NULL,NULL,1),(87,87,'I4/m','I4/m',NULL,NULL,NULL,NULL,1),(88,88,'I41/a','I41/a',NULL,NULL,NULL,NULL,1),(89,89,'P422','P 42 2','tP',NULL,NULL,NULL,1),(90,90,'P4212','P 421 2','tP',NULL,NULL,NULL,1),(91,91,'P4122','P41 2 2','tP',NULL,NULL,NULL,1),(92,92,'P41212','P41 21 2','tP',NULL,NULL,NULL,1),(93,93,'P4222','P42 2 2','tP',NULL,NULL,NULL,1),(94,94,'P42212','P42 21 2','tP',NULL,NULL,NULL,1),(95,95,'P4322','P43 2 2','tP',NULL,NULL,NULL,1),(96,96,'P43212','P43 21 2','tP',NULL,NULL,NULL,1),(97,97,'I422','I 42 2','tI',NULL,NULL,NULL,1),(98,98,'I4122','I41 2 2','tI',NULL,NULL,NULL,1),(99,99,'P4mm','P 4m m',NULL,NULL,NULL,NULL,1),(100,100,'P4bm','P4 b m',NULL,NULL,NULL,NULL,1),(101,101,'P42cm','P42 c m',NULL,NULL,NULL,NULL,1),(102,102,'P42nm','P42 n m',NULL,NULL,NULL,NULL,1),(103,103,'P4cc','P4 c c',NULL,NULL,NULL,NULL,1),(104,104,'P4nc','P4 n c',NULL,NULL,NULL,NULL,1),(105,105,'P42mc','P42 m c',NULL,NULL,NULL,NULL,1),(106,106,'P42bc','P42 b c',NULL,NULL,NULL,NULL,1),(107,107,'I4mm','I4 m m',NULL,NULL,NULL,NULL,1),(108,108,'I4cm','I4 c m',NULL,NULL,NULL,NULL,1),(109,109,'I41md','I41 m d',NULL,NULL,NULL,NULL,1),(110,110,'I41cd','I41 c d',NULL,NULL,NULL,NULL,1),(111,111,'P-42m','P-4 2 m',NULL,NULL,NULL,NULL,1),(112,112,'P-42c','P-4 2 c',NULL,NULL,NULL,NULL,1),(113,113,'P-421m','P-4 21 m',NULL,NULL,NULL,NULL,1),(114,114,'P-421c','P-4 21 c',NULL,NULL,NULL,NULL,1),(115,115,'P-4m2','P-4 m 2',NULL,NULL,NULL,NULL,1),(116,116,'P-4c2','P-4 c 2',NULL,NULL,NULL,NULL,1),(117,117,'P-4b2','P-4 b 2',NULL,NULL,NULL,NULL,1),(118,118,'P-4n2','P-4 n 2',NULL,NULL,NULL,NULL,1),(119,119,'I-4m2','I-4 m 2',NULL,NULL,NULL,NULL,1),(120,120,'I-4c2','I-4 c 2',NULL,NULL,NULL,NULL,1),(121,121,'I-42m','I-4 2 m',NULL,NULL,NULL,NULL,1),(122,122,'I-42d','I-4 2 d',NULL,NULL,NULL,NULL,1),(123,123,'P4/mmm','P4/m m m',NULL,NULL,NULL,NULL,1),(124,124,'P4/mcc','P4/m c c',NULL,NULL,NULL,NULL,1),(125,125,'P4/nbm','P4/n b m',NULL,NULL,NULL,NULL,1),(126,126,'P4/nnc','P4/n n c',NULL,NULL,NULL,NULL,1),(127,127,'P4/mbm1','P4/m b m1',NULL,NULL,NULL,NULL,1),(128,128,'P4/mnc1','P4/m n c1',NULL,NULL,NULL,NULL,1),(129,129,'P4/nmm1','P4/n m m1',NULL,NULL,NULL,NULL,1),(130,130,'P4/ncc1','P4/n c c1',NULL,NULL,NULL,NULL,1),(131,131,'P42/mmc','P42/m m c',NULL,NULL,NULL,NULL,1),(132,132,'P42/mcm','P42/m c m',NULL,NULL,NULL,NULL,1),(133,133,'P42/nbc','P42/n b c',NULL,NULL,NULL,NULL,1),(134,134,'P42/nnm','P42/n n m',NULL,NULL,NULL,NULL,1),(135,135,'P42/mbc','P42/m b c',NULL,NULL,NULL,NULL,1),(136,136,'P42/mnm','P42/m n m',NULL,NULL,NULL,NULL,1),(137,137,'P42/nmc','P42/n m c',NULL,NULL,NULL,NULL,1),(138,138,'P42/ncm','P42/n c m',NULL,NULL,NULL,NULL,1),(139,139,'I4/mmm','I4/m m m',NULL,NULL,NULL,NULL,1),(140,140,'I4/mcm','I4/m c m',NULL,NULL,NULL,NULL,1),(141,141,'I41/amd','I41/a m d',NULL,NULL,NULL,NULL,1),(142,142,'I41/acd','I41/a c d',NULL,NULL,NULL,NULL,1),(143,143,'P3','P3','hP',NULL,NULL,NULL,1),(144,144,'P31','P31','hP',NULL,NULL,NULL,1),(145,145,'P32','P32','hP',NULL,NULL,NULL,1),(146,146,'H3','H3','hR',NULL,NULL,NULL,1),(147,147,'P-3','P-3',NULL,NULL,NULL,NULL,1),(148,148,'H-3','H-3',NULL,NULL,NULL,NULL,1),(149,149,'P312','P3 1 2','hP',NULL,NULL,NULL,1),(150,150,'P321','P3 2 1','hP',NULL,NULL,NULL,1),(151,151,'P3112','P31 1 2','hP',NULL,NULL,NULL,1),(152,152,'P3121','P31 2 1','hP',NULL,NULL,NULL,1),(153,153,'P3212','P32 1 2','hP',NULL,NULL,NULL,1),(154,154,'P3221','P32 2 1','hP',NULL,NULL,NULL,1),(155,155,'H32','H3 2','hR',NULL,NULL,NULL,1),(156,156,'P3m1','P3 m 1',NULL,NULL,NULL,NULL,1),(157,157,'P31m','P3 1 m',NULL,NULL,NULL,NULL,1),(158,158,'P3c1','P3 c 1',NULL,NULL,NULL,NULL,1),(159,159,'P31c','P3 1 c',NULL,NULL,NULL,NULL,1),(160,160,'H3m','H3 m',NULL,NULL,NULL,NULL,1),(161,161,'H3c','H3 c',NULL,NULL,NULL,NULL,1),(162,162,'P-31m','P-3 1 m',NULL,NULL,NULL,NULL,1),(163,163,'P-31c','P-3 1 c',NULL,NULL,NULL,NULL,1),(164,164,'P-3m1','P-3 m 1',NULL,NULL,NULL,NULL,1),(165,165,'P-3c1','P-3 c 1',NULL,NULL,NULL,NULL,1),(166,166,'H-3m','H-3 m',NULL,NULL,NULL,NULL,1),(167,167,'H-3c','H-3 c',NULL,NULL,NULL,NULL,1),(168,168,'P6','P6','hP',NULL,NULL,NULL,1),(169,169,'P61','P61','hP',NULL,NULL,NULL,1),(170,170,'P65','P65','hP',NULL,NULL,NULL,1),(171,171,'P62','P62','hP',NULL,NULL,NULL,1),(172,172,'P64','P64','hP',NULL,NULL,NULL,1),(173,173,'P63','P63','hP',NULL,NULL,NULL,1),(174,174,'P-6','P-6',NULL,NULL,NULL,NULL,1),(175,175,'P6/m','P6/m',NULL,NULL,NULL,NULL,1),(176,176,'P63/m','P63/m',NULL,NULL,NULL,NULL,1),(177,177,'P622','P6 2 2','hP',NULL,NULL,NULL,1),(178,178,'P6122','P61 2 2','hP',NULL,NULL,NULL,1),(179,179,'P6522','P65 2 2','hP',NULL,NULL,NULL,1),(180,180,'P6222','P62 2 2','hP',NULL,NULL,NULL,1),(181,181,'P6422','P64 2 2','hP',NULL,NULL,NULL,1),(182,182,'P6322','P63 2 2','hP',NULL,NULL,NULL,1),(183,183,'P6mm','P6 m m',NULL,NULL,NULL,NULL,1),(184,184,'P6cc','P6 c c',NULL,NULL,NULL,NULL,1),(185,185,'P63cm','P63 c m',NULL,NULL,NULL,NULL,1),(186,186,'P63mc','P63 m c',NULL,NULL,NULL,NULL,1),(187,187,'P-6m2','P-6 m 2',NULL,NULL,NULL,NULL,1),(188,188,'P-6c2','P-6 c 2',NULL,NULL,NULL,NULL,1),(189,189,'P-62m','P-6 2 m',NULL,NULL,NULL,NULL,1),(190,190,'P-62c','P-6 2 c',NULL,NULL,NULL,NULL,1),(191,191,'P6/mmm','P6/m m m',NULL,NULL,NULL,NULL,1),(192,192,'P6/mcc','P6/m c c',NULL,NULL,NULL,NULL,1),(193,193,'P63/mcm','P63/m c m',NULL,NULL,NULL,NULL,1),(194,194,'P63/mmc','P63/m m c',NULL,NULL,NULL,NULL,1),(195,195,'P23','P2 3','cP',NULL,NULL,NULL,1),(196,196,'F23','F2 3','cF',NULL,NULL,NULL,1),(197,197,'I23','I2 3','cI',NULL,NULL,NULL,1),(198,198,'P213','P21 3','cP',NULL,NULL,NULL,1),(199,199,'I213','I21 3','cI',NULL,NULL,NULL,1),(200,200,'Pm-3','Pm -3',NULL,NULL,NULL,NULL,1),(201,201,'Pn-3','Pn -3',NULL,NULL,NULL,NULL,1),(202,202,'Fm-3','Fm -3',NULL,NULL,NULL,NULL,1),(203,203,'Fd-3','Fd -3',NULL,NULL,NULL,NULL,1),(204,204,'Im-3','Im -3',NULL,NULL,NULL,NULL,1),(205,205,'Pa-31','Pa -31',NULL,NULL,NULL,NULL,1),(206,206,'Ia-31','Ia -31',NULL,NULL,NULL,NULL,1),(207,207,'P432','P4 3 2','cP',NULL,NULL,NULL,1),(208,208,'P4232','P42 3 2','cP',NULL,NULL,NULL,1),(209,209,'F432','F4 3 2','cF',NULL,NULL,NULL,1),(210,210,'F4132','F41 3 2','cF',NULL,NULL,NULL,1),(211,211,'I432','I4 3 2','cI',NULL,NULL,NULL,1),(212,212,'P4332','P43 3 2','cP',NULL,NULL,NULL,1),(213,213,'P4132','P41 3 2','cP',NULL,NULL,NULL,1),(214,214,'I4132','I41 3 2','cI',NULL,NULL,NULL,1),(215,215,'P-43m','P-4 3 m',NULL,NULL,NULL,NULL,1),(216,216,'F-43m','F-4 3 m',NULL,NULL,NULL,NULL,1),(217,217,'I-43m','I-4 3 m',NULL,NULL,NULL,NULL,1),(218,218,'P-43n','P-4 3 n',NULL,NULL,NULL,NULL,1),(219,219,'F-43c','F-4 3 c',NULL,NULL,NULL,NULL,1),(220,220,'I-43d','I-4 3 d',NULL,NULL,NULL,NULL,1),(221,221,'Pm-3m','Pm -3 m',NULL,NULL,NULL,NULL,1),(222,222,'Pn-3n','Pn -3 n',NULL,NULL,NULL,NULL,1),(223,223,'Pm-3n1','Pm -3 n1',NULL,NULL,NULL,NULL,1),(224,224,'Pn-3m1','Pn -3 m1',NULL,NULL,NULL,NULL,1),(225,225,'Fm-3m','Fm -3 m',NULL,NULL,NULL,NULL,1),(226,226,'Fm-3c','Fm -3 c',NULL,NULL,NULL,NULL,1),(227,227,'Fd-3m1','Fd -3 m1',NULL,NULL,NULL,NULL,1),(228,228,'Fd-3c1','Fd -3 c1',NULL,NULL,NULL,NULL,1),(229,229,'Im-3m','Im -3 m',NULL,NULL,NULL,NULL,1),(230,230,'Ia-3d1','Ia -3 d1',NULL,NULL,NULL,NULL,1);
 /*!40000 ALTER TABLE `SpaceGroup` ENABLE KEYS */;
 
 --
@@ -215,4 +215,4 @@ INSERT INTO `PurificationColumn` (`purificationColumnId`, `name`, `active`) VALU
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-03-05 16:12:02
+-- Dump completed on 2021-04-13 17:17:21
diff --git a/schemas/ispyb/routines.sql b/schemas/ispyb/routines.sql
index d1f04592..06f07b93 100644
--- a/schemas/ispyb/routines.sql
+++ b/schemas/ispyb/routines.sql
@@ -1,4 +1,4 @@
--- MariaDB dump 10.18  Distrib 10.5.8-MariaDB, for Linux (x86_64)
+-- MariaDB dump 10.19  Distrib 10.5.9-MariaDB, for Linux (x86_64)
 --
 -- Host: 10.88.0.5    Database: ispyb_build
 -- ------------------------------------------------------
@@ -4629,7 +4629,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4642,13 +4642,14 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.containerId = p_id AND per.login = p_authLogin;
@@ -4662,7 +4663,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4675,10 +4676,11 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.containerId = p_id;
@@ -4698,7 +4700,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4711,7 +4713,7 @@ BEGIN
             NULL "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
@@ -4719,6 +4721,7 @@ BEGIN
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.containerId = p_id AND per.login = p_authLogin;
@@ -4732,7 +4735,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4745,11 +4748,12 @@ BEGIN
             NULL "sessionNumber",
 
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
             JOIN Proposal p ON p.proposalId = s.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.containerId = p_id;
@@ -4803,7 +4807,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4816,13 +4820,14 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE p.proposalCode = p_proposalCode AND p.proposalNumber = p_proposalNumber AND bs.visit_number = p_sessionNumber AND c.containerStatus = p_status AND per.login = p_authLogin;
@@ -4836,7 +4841,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4849,10 +4854,11 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE p.proposalCode = p_proposalCode AND p.proposalNumber = p_proposalNumber AND bs.visit_number = p_sessionNumber AND c.containerStatus = p_status;
@@ -4872,7 +4878,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4885,7 +4891,7 @@ BEGIN
             NULL "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
@@ -4893,6 +4899,7 @@ BEGIN
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE p.proposalCode = p_proposalCode AND p.proposalNumber = p_proposalNumber AND c.containerStatus = p_status AND per.login = p_authLogin;
@@ -4906,7 +4913,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4919,11 +4926,12 @@ BEGIN
             NULL "sessionNumber",
 
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
             JOIN Proposal p ON p.proposalId = s.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE p.proposalCode = p_proposalCode AND p.proposalNumber = p_proposalNumber AND c.containerStatus = p_status;
@@ -4971,7 +4979,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -4984,13 +4992,14 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.barcode = p_barcode AND per.login = p_authLogin;
@@ -5004,7 +5013,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -5017,10 +5026,11 @@ BEGIN
             bs.visit_number "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN BLSession bs ON bs.sessionId = c.sessionId
             JOIN Proposal p ON p.proposalId = bs.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.barcode = p_barcode;
@@ -5039,7 +5049,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -5052,7 +5062,7 @@ BEGIN
             NULL "sessionNumber",
             
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
@@ -5060,6 +5070,7 @@ BEGIN
             JOIN BLSession bs2 ON bs2.proposalId = p.proposalId
             JOIN Session_has_Person shp ON shp.sessionId = bs2.sessionId
             JOIN Person per on per.personId = shp.personId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.barcode = p_barcode AND per.login = p_authLogin;
@@ -5073,7 +5084,7 @@ BEGIN
             c.ownerId "ownerId",
             per2.login "ownerUsername",
             c.code "name",
-            c.containerType "type",
+            IFNULL(ct.name, c.containerType) "type",
             c.barcode "barcode",
             c.beamlineLocation "beamline",
             c.sampleChangerLocation "location",
@@ -5086,11 +5097,12 @@ BEGIN
             NULL "sessionNumber",
 
             c.comments "comments",
-            et.name "experimentType"
+            IFNULL(et.name, c.experimentType) "experimentType"
           FROM Container c
             JOIN Dewar d ON c.dewarId = d.dewarId
             JOIN Shipping s ON s.shippingId = d.shippingId
             JOIN Proposal p ON p.proposalId = s.proposalId
+            LEFT JOIN ContainerType ct ON ct.containerTypeId = c.containerTypeId
             LEFT JOIN Person per2 ON per2.personId = c.ownerId
             LEFT JOIN ExperimentType et ON et.experimentTypeId = c.experimentTypeId
           WHERE c.barcode = p_barcode;
@@ -5158,7 +5170,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5212,7 +5224,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5268,7 +5280,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5323,7 +5335,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5409,7 +5421,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5463,7 +5475,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5519,7 +5531,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5574,7 +5586,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5660,7 +5672,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5714,7 +5726,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5770,7 +5782,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -5825,7 +5837,7 @@ BEGIN
             conct.name "materialConcentrationType",
             pr.isotropy "materialIsotropy",  
 
-            et.name "planExperimentType",
+            IFNULL(et.name, c.experimentType) "planExperimentType",
             pc.name "planPurificationColumn",
             plan.robotPlateTemperature "planRobotPlateTemperature",
             plan.exposureTemperature "planExposureTemperature",
@@ -9304,7 +9316,8 @@ BEGIN
       micronsPerPixelX = IFNULL(p_micronsPerPixelX, micronsPerPixelX),
       micronsPerPixelY = IFNULL(p_micronsPerPixelY, micronsPerPixelY),
       imageFullPath = IFNULL(p_imageFullPath, imageFullPath),
-      comments = IFNULL(p_comments, comments)
+      comments = IFNULL(p_comments, comments),
+      modifiedTimeStamp = current_timestamp
     WHERE blSampleImageId = p_id;
   END IF;
 END ;;
@@ -9706,8 +9719,8 @@ DELIMITER ;
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-02-22 15:32:37
--- MariaDB dump 10.18  Distrib 10.5.8-MariaDB, for Linux (x86_64)
+-- Dump completed on 2021-04-13 17:10:05
+-- MariaDB dump 10.19  Distrib 10.5.9-MariaDB, for Linux (x86_64)
 --
 -- Host: 10.88.0.5    Database: ispyb_build
 -- ------------------------------------------------------
@@ -9730,6 +9743,7 @@ DELIMITER ;
 /*!50003 SET collation_connection  = utf8_general_ci */ ;
 /*!50003 SET @saved_sql_mode       = @@sql_mode */ ;
 /*!50003 SET sql_mode              = 'STRICT_TRANS_TABLES,ERROR_FOR_DIVISION_BY_ZERO,NO_AUTO_CREATE_USER,NO_ENGINE_SUBSTITUTION' */ ;
+/*!50032 DROP TRIGGER IF EXISTS Container_sc_loc_update */;
 DELIMITER ;;
 /*!50003 CREATE*/ /*!50017 */ /*!50003 TRIGGER Container_sc_loc_update BEFORE UPDATE ON Container
 FOR EACH ROW
@@ -9752,4 +9766,4 @@ DELIMITER ;
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-02-22 15:32:39
+-- Dump completed on 2021-04-13 17:10:05
diff --git a/schemas/ispyb/tables.sql b/schemas/ispyb/tables.sql
index fcbb9ce4..2db4f0ea 100644
--- a/schemas/ispyb/tables.sql
+++ b/schemas/ispyb/tables.sql
@@ -366,7 +366,6 @@ CREATE TABLE `AutoProcScaling_has_Int` (
   PRIMARY KEY (`autoProcScaling_has_IntId`),
   KEY `AutoProcScalingHasInt_FKIndex3` (`autoProcScalingId`,`autoProcIntegrationId`),
   KEY `AutoProcScal_has_IntIdx2` (`autoProcIntegrationId`),
-  KEY `AutoProcScl_has_IntIdx1` (`autoProcScalingId`),
   CONSTRAINT `AutoProcScaling_has_IntFk1` FOREIGN KEY (`autoProcScalingId`) REFERENCES `AutoProcScaling` (`autoProcScalingId`) ON DELETE CASCADE ON UPDATE CASCADE,
   CONSTRAINT `AutoProcScaling_has_IntFk2` FOREIGN KEY (`autoProcIntegrationId`) REFERENCES `AutoProcIntegration` (`autoProcIntegrationId`) ON DELETE CASCADE ON UPDATE CASCADE
 ) ENGINE=InnoDB DEFAULT CHARSET=latin1;
@@ -619,7 +618,6 @@ CREATE TABLE `BLSample` (
   `staffComments` varchar(255) DEFAULT NULL COMMENT 'Any staff comments on the sample',
   PRIMARY KEY (`blSampleId`),
   KEY `BLSample_FKIndex1` (`containerId`),
-  KEY `BLSample_FKIndex2` (`crystalId`),
   KEY `BLSample_FKIndex3` (`diffractionPlanId`),
   KEY `BLSample_FKIndex_Status` (`blSampleStatus`),
   KEY `BLSample_Index1` (`name`),
@@ -659,7 +657,7 @@ CREATE TABLE `BLSampleGroup_has_BLSample` (
   `blSampleGroupId` int(11) unsigned NOT NULL,
   `blSampleId` int(11) unsigned NOT NULL,
   `groupOrder` mediumint(9) DEFAULT NULL,
-  `type` enum('background','container','sample','calibrant') DEFAULT NULL,
+  `type` enum('background','container','sample','calibrant','capillary') DEFAULT NULL,
   `blSampleTypeId` int(10) unsigned DEFAULT NULL,
   PRIMARY KEY (`blSampleGroupId`,`blSampleId`),
   KEY `BLSampleGroup_has_BLSample_ibfk2` (`blSampleId`),
@@ -921,8 +919,8 @@ CREATE TABLE `BLSession` (
   `externalId` binary(16) DEFAULT NULL,
   `archived` tinyint(1) DEFAULT 0 COMMENT 'The data for the session is archived and no longer available on disk',
   PRIMARY KEY (`sessionId`),
+  UNIQUE KEY `proposalId` (`proposalId`,`visit_number`),
   KEY `BLSession_FKIndexOperatorSiteNumber` (`operatorSiteNumber`),
-  KEY `Session_FKIndex1` (`proposalId`),
   KEY `Session_FKIndex2` (`beamLineSetupId`),
   KEY `Session_FKIndexBeamLineName` (`beamLineName`),
   KEY `Session_FKIndexEndDate` (`endDate`),
@@ -1440,10 +1438,10 @@ CREATE TABLE `ContainerInspection` (
   `scheduledTimeStamp` datetime DEFAULT NULL,
   `completedTimeStamp` datetime DEFAULT NULL,
   PRIMARY KEY (`containerInspectionId`),
-  KEY `ContainerInspection_idx1` (`containerId`),
   KEY `ContainerInspection_idx2` (`inspectionTypeId`),
   KEY `ContainerInspection_idx3` (`imagerId`),
   KEY `ContainerInspection_fk4` (`scheduleComponentid`),
+  KEY `ContainerInspection_idx4` (`containerId`,`scheduleComponentid`,`state`,`manual`),
   CONSTRAINT `ContainerInspection_fk1` FOREIGN KEY (`containerId`) REFERENCES `Container` (`containerId`) ON DELETE CASCADE ON UPDATE CASCADE,
   CONSTRAINT `ContainerInspection_fk2` FOREIGN KEY (`inspectionTypeId`) REFERENCES `InspectionType` (`inspectionTypeId`) ON DELETE NO ACTION ON UPDATE NO ACTION,
   CONSTRAINT `ContainerInspection_fk3` FOREIGN KEY (`imagerId`) REFERENCES `Imager` (`imagerId`) ON DELETE NO ACTION ON UPDATE NO ACTION,
@@ -3198,25 +3196,44 @@ DROP TABLE IF EXISTS `ParticleClassification`;
 /*!40101 SET character_set_client = utf8 */;
 CREATE TABLE `ParticleClassification` (
   `particleClassificationId` int(10) unsigned NOT NULL AUTO_INCREMENT,
-  `particlePickerId` int(10) unsigned DEFAULT NULL,
-  `type` enum('2D','3D') DEFAULT NULL COMMENT 'Indicates the type of particle classification',
-  `batchNumber` int(10) unsigned DEFAULT NULL COMMENT 'Corresponding to batch number',
   `classNumber` int(10) unsigned DEFAULT NULL COMMENT 'Identified of the class. A unique ID given by Relion',
   `classImageFullPath` varchar(255) DEFAULT NULL COMMENT 'The PNG of the class',
-  `numberOfParticlesPerBatch` int(10) unsigned DEFAULT NULL COMMENT 'total number of particles per batch (a large integer)',
-  `numberOfClassesPerBatch` int(10) unsigned DEFAULT NULL,
   `particlesPerClass` int(10) unsigned DEFAULT NULL COMMENT 'Number of particles within the selected class, can then be used together with the total number above to calculate the percentage',
   `rotationAccuracy` int(10) unsigned DEFAULT NULL COMMENT '???',
   `translationAccuracy` float DEFAULT NULL COMMENT 'Unit: Angstroms',
   `estimatedResolution` float DEFAULT NULL COMMENT '???, Unit: Angstroms',
   `overallFourierCompleteness` float DEFAULT NULL,
-  `symmetry` varchar(20) DEFAULT NULL,
+  `particleClassificationGroupId` int(10) unsigned DEFAULT NULL,
   PRIMARY KEY (`particleClassificationId`),
-  KEY `ParticleClassification_fk_particlePickerId` (`particlePickerId`),
-  CONSTRAINT `ParticleClassification_fk_particlePickerId` FOREIGN KEY (`particlePickerId`) REFERENCES `ParticlePicker` (`particlePickerId`) ON DELETE CASCADE ON UPDATE CASCADE
+  KEY `ParticleClassification_fk_particleClassificationGroupId` (`particleClassificationGroupId`),
+  CONSTRAINT `ParticleClassification_fk_particleClassificationGroupId` FOREIGN KEY (`particleClassificationGroupId`) REFERENCES `ParticleClassificationGroup` (`particleClassificationGroupId`) ON DELETE CASCADE ON UPDATE CASCADE
 ) ENGINE=InnoDB DEFAULT CHARSET=latin1 COMMENT='Results of 2D or 2D classification';
 /*!40101 SET character_set_client = @saved_cs_client */;
 
+--
+-- Table structure for table `ParticleClassificationGroup`
+--
+
+DROP TABLE IF EXISTS `ParticleClassificationGroup`;
+/*!40101 SET @saved_cs_client     = @@character_set_client */;
+/*!40101 SET character_set_client = utf8 */;
+CREATE TABLE `ParticleClassificationGroup` (
+  `particleClassificationGroupId` int(10) unsigned NOT NULL AUTO_INCREMENT,
+  `particlePickerId` int(10) unsigned DEFAULT NULL,
+  `programId` int(10) unsigned DEFAULT NULL,
+  `type` enum('2D','3D') DEFAULT NULL COMMENT 'Indicates the type of particle classification',
+  `batchNumber` int(10) unsigned DEFAULT NULL COMMENT 'Corresponding to batch number',
+  `numberOfParticlesPerBatch` int(10) unsigned DEFAULT NULL COMMENT 'total number of particles per batch (a large integer)',
+  `numberOfClassesPerBatch` int(10) unsigned DEFAULT NULL,
+  `symmetry` varchar(20) DEFAULT NULL,
+  PRIMARY KEY (`particleClassificationGroupId`),
+  KEY `ParticleClassificationGroup_fk_particlePickerId` (`particlePickerId`),
+  KEY `ParticleClassificationGroup_fk_programId` (`programId`),
+  CONSTRAINT `ParticleClassificationGroup_fk_particlePickerId` FOREIGN KEY (`particlePickerId`) REFERENCES `ParticlePicker` (`particlePickerId`) ON DELETE CASCADE ON UPDATE CASCADE,
+  CONSTRAINT `ParticleClassificationGroup_fk_programId` FOREIGN KEY (`programId`) REFERENCES `AutoProcProgram` (`autoProcProgramId`) ON DELETE NO ACTION ON UPDATE CASCADE
+) ENGINE=InnoDB DEFAULT CHARSET=latin1;
+/*!40101 SET character_set_client = @saved_cs_client */;
+
 --
 -- Table structure for table `ParticleClassification_has_CryoemInitialModel`
 --
@@ -3243,19 +3260,16 @@ DROP TABLE IF EXISTS `ParticlePicker`;
 /*!40101 SET character_set_client = utf8 */;
 CREATE TABLE `ParticlePicker` (
   `particlePickerId` int(10) unsigned NOT NULL AUTO_INCREMENT,
-  `particlePickerProgramId` int(10) unsigned DEFAULT NULL,
-  `particleClassificationProgramId` int(10) unsigned DEFAULT NULL,
+  `programId` int(10) unsigned DEFAULT NULL,
   `firstMotionCorrectionId` int(10) unsigned DEFAULT NULL,
   `particlePickingTemplate` varchar(255) DEFAULT NULL COMMENT 'Cryolo model',
   `particleDiameter` float DEFAULT NULL COMMENT 'Unit: nm',
   `numberOfParticles` int(10) unsigned DEFAULT NULL,
   PRIMARY KEY (`particlePickerId`),
-  KEY `ParticlePicker_fk_particlePickerProgramId` (`particlePickerProgramId`),
-  KEY `ParticlePicker_fk_particleClassificationProgramId` (`particleClassificationProgramId`),
+  KEY `ParticlePicker_fk_particlePickerProgramId` (`programId`),
   KEY `ParticlePicker_fk_motionCorrectionId` (`firstMotionCorrectionId`),
   CONSTRAINT `ParticlePicker_fk_motionCorrectionId` FOREIGN KEY (`firstMotionCorrectionId`) REFERENCES `MotionCorrection` (`motionCorrectionId`) ON DELETE NO ACTION ON UPDATE CASCADE,
-  CONSTRAINT `ParticlePicker_fk_particleClassificationProgramId` FOREIGN KEY (`particleClassificationProgramId`) REFERENCES `AutoProcProgram` (`autoProcProgramId`) ON DELETE NO ACTION ON UPDATE CASCADE,
-  CONSTRAINT `ParticlePicker_fk_particlePickerProgramId` FOREIGN KEY (`particlePickerProgramId`) REFERENCES `AutoProcProgram` (`autoProcProgramId`) ON DELETE NO ACTION ON UPDATE CASCADE
+  CONSTRAINT `ParticlePicker_fk_programId` FOREIGN KEY (`programId`) REFERENCES `AutoProcProgram` (`autoProcProgramId`) ON DELETE NO ACTION ON UPDATE CASCADE
 ) ENGINE=InnoDB DEFAULT CHARSET=latin1 COMMENT='An instance of a particle picker program that was run';
 /*!40101 SET character_set_client = @saved_cs_client */;
 
@@ -3897,7 +3911,6 @@ CREATE TABLE `Protein` (
   `isotropy` enum('isotropic','anisotropic') DEFAULT NULL,
   PRIMARY KEY (`proteinId`),
   KEY `ProteinAcronym_Index` (`proposalId`,`acronym`),
-  KEY `Protein_FKIndex1` (`proposalId`),
   KEY `Protein_FKIndex2` (`personId`),
   KEY `Protein_Index2` (`acronym`),
   KEY `protein_fk3` (`componentTypeId`),
@@ -4599,7 +4612,6 @@ CREATE TABLE `Session_has_Person` (
   `role` enum('Local Contact','Local Contact 2','Staff','Team Leader','Co-Investigator','Principal Investigator','Alternate Contact','Data Access','Team Member','ERA Admin') DEFAULT NULL,
   `remote` tinyint(1) DEFAULT 0,
   PRIMARY KEY (`sessionId`,`personId`),
-  KEY `Session_has_Person_FKIndex1` (`sessionId`),
   KEY `Session_has_Person_FKIndex2` (`personId`),
   CONSTRAINT `Session_has_Person_ibfk_1` FOREIGN KEY (`sessionId`) REFERENCES `BLSession` (`sessionId`) ON DELETE CASCADE ON UPDATE CASCADE,
   CONSTRAINT `Session_has_Person_ibfk_2` FOREIGN KEY (`personId`) REFERENCES `Person` (`personId`) ON DELETE CASCADE ON UPDATE CASCADE
@@ -4672,7 +4684,6 @@ CREATE TABLE `ShippingHasSession` (
   `shippingId` int(10) unsigned NOT NULL,
   `sessionId` int(10) unsigned NOT NULL,
   PRIMARY KEY (`shippingId`,`sessionId`),
-  KEY `ShippingHasSession_FKIndex1` (`shippingId`),
   KEY `ShippingHasSession_FKIndex2` (`sessionId`),
   CONSTRAINT `ShippingHasSession_ibfk_1` FOREIGN KEY (`shippingId`) REFERENCES `Shipping` (`shippingId`) ON DELETE CASCADE ON UPDATE CASCADE,
   CONSTRAINT `ShippingHasSession_ibfk_2` FOREIGN KEY (`sessionId`) REFERENCES `BLSession` (`sessionId`) ON DELETE CASCADE ON UPDATE CASCADE
@@ -6026,4 +6037,4 @@ SET character_set_client = @saved_cs_client;
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-03-05 16:06:13
+-- Dump completed on 2021-04-13 17:10:05
diff --git a/schemas/ispyb/updates/2021_04_13_AdminVar_bump_version.sql b/schemas/ispyb/updates/2021_04_13_AdminVar_bump_version.sql
new file mode 100644
index 00000000..2d22632f
--- /dev/null
+++ b/schemas/ispyb/updates/2021_04_13_AdminVar_bump_version.sql
@@ -0,0 +1,5 @@
+INSERT IGNORE INTO SchemaStatus (scriptName, schemaStatus) VALUES ('2021_04_13_AdminVar_bump_version.sql', 'ONGOING');
+
+UPDATE AdminVar SET `value` = '1.20.0' WHERE `name` = 'schemaVersion';
+
+UPDATE SchemaStatus SET schemaStatus = 'DONE' WHERE scriptName = '2021_04_13_AdminVar_bump_version.sql';

From 13a038f715449e6c8dc6e25692ebbe56ef59b9db Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:35:48 +0100
Subject: [PATCH 07/10] Updated history for v1.20.0

---
 HISTORY.rst | 37 +++++++++++++++++++++++++++++++++++++
 1 file changed, 37 insertions(+)

diff --git a/HISTORY.rst b/HISTORY.rst
index 8c3a1d34..df0c2137 100644
--- a/HISTORY.rst
+++ b/HISTORY.rst
@@ -5,6 +5,43 @@ History
 Unreleased / master
 -------------------
 
+1.20.0 (2021-04-13)
+-------------------
+
+* Tables, views and indices:
+
+  * New cryoEM table `ParticleClassificationGroup`. Some columns were moved to this table from `ParticlePicker` and `ParticleClassification`.
+  * Add `capillary` as enum option to `BLSampleGroup_has_BLSample.type`
+  * XChem DB: First version of schema for production (not part of release)
+  * Analytics schema: Add access to all lookup tables, `RobotAction`, `ProcessingJob*`, `Protein` tables through views (not part of release)
+  * Drop duplicate indices, add missing indices that existed only in DLS prod
+
+* Data in lookup tables:
+
+  * Add additional container types: some historical, some new
+  * Update `ExperimentType.proposalType`: Change scm to saxs, MX to mx
+  * Update `ContainerType.proposalType`: Change scm to saxs
+  * Update `SpaceGroup` table: Remove newlines in names. Set `MX_used` = 1 for all SGs.
+  
+* Stored procedures:
+
+  * `retrieve_scm_*``: Preferentially get experiement type and container type+capacity from new lookup tables `ExperimentType` and `ContainerType`, otherwise fall-back to `experimentType` and `containerType`+`capacity` columns in the `Container` table.
+  * `upsert_sample_image`: set `BLSampleImage.modifiedTimeStamp` if the upsert is an update
+
+* Tools and documentation:
+
+  * New script `bin/missed_updates.sh` to identify update .sql files that haven't been run
+  * `bin/backup.sh`: Use `--add-drop-trigger` flag to drop trigger if exists before creation
+  * `CONTRIBUTING.md`: Simplify pull request procedure for table changes
+  * Updated simplified MX database diagram files
+  * Move list + string with lookup tables to separate file so it can be reused
+  * All bash scripts have been given new shebang lines to run on systems where bash is not at `/bin/bash`.
+  
+* Users, roles and grants:
+
+  * More `INSERT` grants for `ispyb_web` role: DC, DCG, `ProcessingJob`, `ProcessingJobParameter`
+  * New `ispyb_ro_nopii` role (read-only-except-PII)
+
 1.19.0 (2021-03-05)
 -------------------
 

From 6c8a36faddfd5c6b01672de723de4a4cd760c415 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:44:47 +0100
Subject: [PATCH 08/10] Change xpdf container type name Pusk to Puck-22

---
 schemas/ispyb/updates/2021_04_13_ContainerType_update.sql | 5 +++++
 1 file changed, 5 insertions(+)
 create mode 100644 schemas/ispyb/updates/2021_04_13_ContainerType_update.sql

diff --git a/schemas/ispyb/updates/2021_04_13_ContainerType_update.sql b/schemas/ispyb/updates/2021_04_13_ContainerType_update.sql
new file mode 100644
index 00000000..8de0e7f5
--- /dev/null
+++ b/schemas/ispyb/updates/2021_04_13_ContainerType_update.sql
@@ -0,0 +1,5 @@
+INSERT IGNORE INTO SchemaStatus (scriptName, schemaStatus) VALUES ('2021_04_13_ContainerType_update.sql', 'ONGOING');
+
+UPDATE ContainerType SET name = 'Puck-22' WHERE proposalType = 'xpdf' AND name = 'Puck';
+
+UPDATE SchemaStatus SET schemaStatus = 'DONE' WHERE scriptName = '2021_04_13_ContainerType_update.sql';

From ec277aefcde75ca1639007e521a31583ac290220 Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:51:12 +0100
Subject: [PATCH 09/10] Define ContainerType and ExperimentType as lookup
 tables

---
 bin/lookup_tables.sh      |  2 ++
 schemas/ispyb/data.sql    | 18 +-----------------
 schemas/ispyb/lookups.sql | 20 ++++++++++++++++++--
 3 files changed, 21 insertions(+), 19 deletions(-)

diff --git a/bin/lookup_tables.sh b/bin/lookup_tables.sh
index 8a95e741..174f53d7 100644
--- a/bin/lookup_tables.sh
+++ b/bin/lookup_tables.sh
@@ -4,6 +4,8 @@ SchemaStatus
 ComponentType
 ComponentSubType
 ConcentrationType
+ContainerType
+ExperimentType
 InspectionType
 PlateType
 SessionType
diff --git a/schemas/ispyb/data.sql b/schemas/ispyb/data.sql
index dc1bf056..12d5b0c9 100644
--- a/schemas/ispyb/data.sql
+++ b/schemas/ispyb/data.sql
@@ -422,14 +422,6 @@ INSERT INTO `ContainerRegistry` (`containerRegistryId`, `barcode`, `comments`, `
 /*!40000 ALTER TABLE `ContainerReport` DISABLE KEYS */;
 /*!40000 ALTER TABLE `ContainerReport` ENABLE KEYS */;
 
---
--- Dumping data for table `ContainerType`
---
-
-/*!40000 ALTER TABLE `ContainerType` DISABLE KEYS */;
-INSERT INTO `ContainerType` (`containerTypeId`, `name`, `proposalType`, `active`, `capacity`, `wellPerRow`, `dropPerWellX`, `dropPerWellY`, `dropHeight`, `dropWidth`, `dropOffsetX`, `dropOffsetY`, `wellDrop`) VALUES (1,'B21_8+1','saxs',1,9,9,1,1,1,1,0,0,-1),(2,'B21_96','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(3,'B21_1tube','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(4,'I22_Capillary_Rack_20','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(5,'I22_Grid_100','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(6,'I22_Grid_45','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(7,'P38_Capillary_Rack_27','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(8,'P38_Solids','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(9,'P38_Powder','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(10,'B22_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(11,'I11_Capillary_Rack_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(12,'Puck','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(13,'ReferencePlate','mx',1,16,2,1,1,1,1,0,0,-1),(14,'CrystalQuickX','mx',1,192,12,2,1,0.5,1,0,0,-1),(15,'MitegenInSitu','mx',1,192,12,2,1,0.5,1,0,0,-1),(16,'FilmBatch','mx',1,96,12,1,1,1,1,0,0,-1),(17,'MitegenInSitu_3_Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(18,'Greiner 3 Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(19,'MRC Maxi','mx',1,48,6,1,1,1,0.5,0,0,-1),(20,'MRC 2 Drop','mx',1,192,12,1,2,1,0.5,0.5,0,-1),(21,'Griener 1536','mx',1,1536,12,4,4,1,1,0,0,-1),(22,'3 Drop Square','mx',1,288,12,2,2,1,1,0,0,3),(23,'SWISSCI 3 Drop','mx',1,288,12,2,2,1,1,0,0,1),(24,'1 drop','mx',1,96,12,1,1,0.5,0.5,0,0,-1),(25,'LCP Glass','mx',1,96,12,1,1,1,1,0,0,-1),(26,'PCRStrip','saxs',1,9,9,1,1,1,1,0,0,-1),(27,'Basket','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(28,'Cane','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(29,'Terasaki72','mx',0,72,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(30,'Puck-16','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(31,'Block-4','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(32,'Box','xpdf',1,25,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(33,'Puck','xpdf',1,22,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL);
-/*!40000 ALTER TABLE `ContainerType` ENABLE KEYS */;
-
 --
 -- Dumping data for table `CourierTermsAccepted`
 --
@@ -591,14 +583,6 @@ INSERT INTO `EnergyScan` (`energyScanId`, `sessionId`, `blSampleId`, `fluorescen
 /*!40000 ALTER TABLE `ExperimentKindDetails` DISABLE KEYS */;
 /*!40000 ALTER TABLE `ExperimentKindDetails` ENABLE KEYS */;
 
---
--- Dumping data for table `ExperimentType`
---
-
-/*!40000 ALTER TABLE `ExperimentType` DISABLE KEYS */;
-INSERT INTO `ExperimentType` (`experimentTypeId`, `name`, `proposalType`, `active`) VALUES (1,'Default',NULL,1),(2,'MXPressE','mx',1),(3,'MXPressO','mx',1),(4,'MXPressE_SAD','mx',1),(5,'MXScore','mx',1),(6,'MXPressM','mx',1),(7,'MAD','mx',1),(8,'SAD','mx',1),(9,'Fixed','mx',1),(10,'Ligand binding','mx',1),(11,'Refinement','mx',1),(12,'OSC','mx',1),(13,'MAD - Inverse Beam','mx',1),(14,'SAD - Inverse Beam','mx',1),(15,'MESH','mx',1),(16,'XFE','mx',1),(17,'Stepped transmission','mx',1),(18,'XChem High Symmetry','mx',1),(19,'XChem Low Symmetry','mx',1),(20,'Commissioning','mx',1),(21,'HPLC','saxs',1),(22,'Robot','saxs',1),(23,'Rack','saxs',1),(24,'Grid','saxs',1),(25,'Solids','saxs',1),(26,'Powder','saxs',1),(27,'Peltier','saxs',1),(28,'Spectroscopy','saxs',1),(29,'CD Spectroscopy','saxs',1),(30,'Microscopy','saxs',1),(31,'Imaging','saxs',1),(32,'CD Thermal Melt','saxs',1),(33,'Fixed Energy At Ambient With Robot','saxs',1);
-/*!40000 ALTER TABLE `ExperimentType` ENABLE KEYS */;
-
 --
 -- Dumping data for table `Frame`
 --
@@ -1464,4 +1448,4 @@ INSERT INTO `v_run` (`runId`, `run`, `startDate`, `endDate`) VALUES (1,'2008-01'
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-04-13 17:10:05
+-- Dump completed on 2021-04-13 17:47:06
diff --git a/schemas/ispyb/lookups.sql b/schemas/ispyb/lookups.sql
index b12910a3..f06807c6 100644
--- a/schemas/ispyb/lookups.sql
+++ b/schemas/ispyb/lookups.sql
@@ -27,7 +27,7 @@ INSERT INTO `AdminVar` (`varId`, `name`, `value`) VALUES (4,'schemaVersion','1.2
 --
 
 /*!40000 ALTER TABLE `SchemaStatus` DISABLE KEYS */;
-INSERT INTO `SchemaStatus` (`schemaStatusId`, `scriptName`, `schemaStatus`, `recordTimeStamp`) VALUES (6,'20180213_BLSample_subLocation.sql','DONE','2018-02-13 13:27:19'),(12,'20180213_DataCollectionFileAttachment_fileType.sql','DONE','2018-02-13 15:12:54'),(16,'20180303_v_run_to_table.sql','DONE','2018-07-25 15:11:18'),(19,'20180328_ImageQualityIndicators_alter_table.sql','DONE','2018-07-25 15:11:18'),(22,'20180410_BeamLineSetup_alter.sql','DONE','2018-07-25 15:11:18'),(25,'20180413_BeamLineSetup_and_Detector_alter.sql','DONE','2018-07-25 15:11:18'),(28,'20180501_DataCollectionGroup_experimentType_enum.sql','DONE','2018-07-25 15:11:18'),(31,'20180531_ScreeningOutput_alignmentSuccess.sql','DONE','2018-07-25 15:11:18'),(34,'20180629_DataCollection_imageContainerSubPath.sql','DONE','2018-07-25 15:11:18'),(35,'20180913_BeamCalendar.sql','DONE','2018-09-19 09:52:45'),(36,'2018_09_19_DataCollection_imageDirectory_comment.sql','DONE','2018-09-19 12:38:01'),(37,'2018_09_27_increase_schema_version.sql','DONE','2018-09-27 13:17:15'),(38,'2018_11_01_XrayCenteringResult.sql','DONE','2018-11-01 13:36:53'),(39,'2018_11_01_AutoProcProgram_dataCollectionId.sql','DONE','2018-11-01 15:10:38'),(40,'2018_11_01_AutoProcProgramMessage.sql','DONE','2018-11-01 15:28:17'),(44,'2018_11_01_DiffractionPlan_centeringMethod.sql','DONE','2018-11-01 22:51:36'),(45,'2018_11_02_DataCollectionGroup_experimentType_enum.sql','DONE','2018-11-02 11:54:15'),(47,'2018_11_05_spelling_of_centring.sql','DONE','2018-11-05 15:31:38'),(48,'2018_11_09_AutoProcProgram_update_processing_program.sql','DONE','2018-11-09 16:38:34'),(49,'2018_11_14_AutoProcProgramMessage_autoinc.sql','DONE','2018-11-14 10:15:27'),(50,'2018_11_22_AutoProcProgram_processingStatus_update.sql','DONE','2018-11-22 16:11:15'),(51,'2018_12_04_EnergyScan_and_XFEFluorescenceSpectrum_add_axisPosition.sql','DONE','2018-12-04 14:13:23'),(52,'2018_12_20_DataCollectionGroup_scanParameters.sql','DONE','2018-12-20 17:30:04'),(53,'2019_01_14_Proposal_state.sql','DONE','2019-01-14 12:13:31'),(54,'2019_01_14_ProcessingJobParameter_parameterValue.sql','DONE','2019-01-14 14:00:02'),(57,'2019_01_15_Detector_localName.sql','DONE','2019-01-15 23:01:15'),(58,'2019_02_04_BLSession_unique_index.sql','DONE','2019-02-04 13:52:19'),(59,'2019_03_29_BLSession_archived.sql','DONE','2019-04-03 14:43:08'),(60,'2019_04_03_UserGroup_and_Permission.sql','DONE','2019-04-03 14:51:04'),(61,'2019_04_07_AdminVar_bump_version.sql','DONE','2019-04-07 11:35:06'),(62,'2019_04_08_AdminVar_bump_version.sql','DONE','2019-04-08 15:38:01'),(63,'2019_04_23_AdminVar_bump_version.sql','DONE','2019-04-23 11:13:27'),(64,'2019_04_23_drop_v_run_view.sql','DONE','2019-04-23 11:13:35'),(67,'2019_04_23_v_run_additional_runs.sql','DONE','2019-04-23 12:39:47'),(68,'2019_05_28_AdminVar_bump_version.sql','DONE','2019-05-28 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 --
@@ -54,6 +54,22 @@ INSERT INTO `ComponentSubType` (`componentSubTypeId`, `name`, `hasPh`, `proposal
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 /*!40000 ALTER TABLE `ConcentrationType` ENABLE KEYS */;
 
+--
+-- Dumping data for table `ContainerType`
+--
+
+/*!40000 ALTER TABLE `ContainerType` DISABLE KEYS */;
+INSERT INTO `ContainerType` (`containerTypeId`, `name`, `proposalType`, `active`, `capacity`, `wellPerRow`, `dropPerWellX`, `dropPerWellY`, `dropHeight`, `dropWidth`, `dropOffsetX`, `dropOffsetY`, `wellDrop`) VALUES (1,'B21_8+1','saxs',1,9,9,1,1,1,1,0,0,-1),(2,'B21_96','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(3,'B21_1tube','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(4,'I22_Capillary_Rack_20','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(5,'I22_Grid_100','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(6,'I22_Grid_45','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(7,'P38_Capillary_Rack_27','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(8,'P38_Solids','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(9,'P38_Powder','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(10,'B22_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(11,'I11_Capillary_Rack_6','saxs',1,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(12,'Puck','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(13,'ReferencePlate','mx',1,16,2,1,1,1,1,0,0,-1),(14,'CrystalQuickX','mx',1,192,12,2,1,0.5,1,0,0,-1),(15,'MitegenInSitu','mx',1,192,12,2,1,0.5,1,0,0,-1),(16,'FilmBatch','mx',1,96,12,1,1,1,1,0,0,-1),(17,'MitegenInSitu_3_Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(18,'Greiner 3 Drop','mx',1,288,12,3,1,0.5,1,0,0,-1),(19,'MRC Maxi','mx',1,48,6,1,1,1,0.5,0,0,-1),(20,'MRC 2 Drop','mx',1,192,12,1,2,1,0.5,0.5,0,-1),(21,'Griener 1536','mx',1,1536,12,4,4,1,1,0,0,-1),(22,'3 Drop Square','mx',1,288,12,2,2,1,1,0,0,3),(23,'SWISSCI 3 Drop','mx',1,288,12,2,2,1,1,0,0,1),(24,'1 drop','mx',1,96,12,1,1,0.5,0.5,0,0,-1),(25,'LCP Glass','mx',1,96,12,1,1,1,1,0,0,-1),(26,'PCRStrip','saxs',1,9,9,1,1,1,1,0,0,-1),(27,'Basket','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(28,'Cane','mx',0,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(29,'Terasaki72','mx',0,72,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(30,'Puck-16','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(31,'Block-4','mx',1,16,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(32,'Box','xpdf',1,25,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL),(33,'Puck-22','xpdf',1,22,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL);
+/*!40000 ALTER TABLE `ContainerType` ENABLE KEYS */;
+
+--
+-- Dumping data for table `ExperimentType`
+--
+
+/*!40000 ALTER TABLE `ExperimentType` DISABLE KEYS */;
+INSERT INTO `ExperimentType` (`experimentTypeId`, `name`, `proposalType`, `active`) VALUES (1,'Default',NULL,1),(2,'MXPressE','mx',1),(3,'MXPressO','mx',1),(4,'MXPressE_SAD','mx',1),(5,'MXScore','mx',1),(6,'MXPressM','mx',1),(7,'MAD','mx',1),(8,'SAD','mx',1),(9,'Fixed','mx',1),(10,'Ligand binding','mx',1),(11,'Refinement','mx',1),(12,'OSC','mx',1),(13,'MAD - Inverse Beam','mx',1),(14,'SAD - Inverse Beam','mx',1),(15,'MESH','mx',1),(16,'XFE','mx',1),(17,'Stepped transmission','mx',1),(18,'XChem High Symmetry','mx',1),(19,'XChem Low Symmetry','mx',1),(20,'Commissioning','mx',1),(21,'HPLC','saxs',1),(22,'Robot','saxs',1),(23,'Rack','saxs',1),(24,'Grid','saxs',1),(25,'Solids','saxs',1),(26,'Powder','saxs',1),(27,'Peltier','saxs',1),(28,'Spectroscopy','saxs',1),(29,'CD Spectroscopy','saxs',1),(30,'Microscopy','saxs',1),(31,'Imaging','saxs',1),(32,'CD Thermal Melt','saxs',1),(33,'Fixed Energy At Ambient With Robot','saxs',1);
+/*!40000 ALTER TABLE `ExperimentType` ENABLE KEYS */;
+
 --
 -- Dumping data for table `InspectionType`
 --
@@ -215,4 +231,4 @@ INSERT INTO `PurificationColumn` (`purificationColumnId`, `name`, `active`) VALU
 /*!40101 SET COLLATION_CONNECTION=@OLD_COLLATION_CONNECTION */;
 /*!40111 SET SQL_NOTES=@OLD_SQL_NOTES */;
 
--- Dump completed on 2021-04-13 17:17:21
+-- Dump completed on 2021-04-13 17:47:06

From 54b0bb9f1ff9ede8819cbba0862f6ec01088d98b Mon Sep 17 00:00:00 2001
From: Karl Levik <KarlLevik@users.noreply.github.com>
Date: Tue, 13 Apr 2021 17:58:40 +0100
Subject: [PATCH 10/10] Mention new container types

---
 HISTORY.rst | 1 +
 1 file changed, 1 insertion(+)

diff --git a/HISTORY.rst b/HISTORY.rst
index df0c2137..8f3cd1f4 100644
--- a/HISTORY.rst
+++ b/HISTORY.rst
@@ -21,6 +21,7 @@ Unreleased / master
   * Add additional container types: some historical, some new
   * Update `ExperimentType.proposalType`: Change scm to saxs, MX to mx
   * Update `ContainerType.proposalType`: Change scm to saxs
+  * Add two XPDF and five MX container types
   * Update `SpaceGroup` table: Remove newlines in names. Set `MX_used` = 1 for all SGs.
   
 * Stored procedures: