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DewarName* PuckName* PuckType* PuckLocationInDewar* CrystalName* PositionInPuck*
Novartis 1 Calvin Spine 1 Clr_1 1
Novartis 1 Calvin Spine 1 Clr_2 2
Novartis 1 Calvin Spine 1 Mxs 3
Novartis 1 Calvin Spine 1 Mxs+ATP 4
Novartis 1 Calvin Spine 1 Xdf 5
Novartis 1 Calvin Spine 1 Xdf+ADP 6
Novartis 1 Calvin Spine 1 Xdf+GMP 7
Novartis 1 Calvin Spine 1 Xdf+GMP 8
Novartis 1 Calvin Spine 1 Kfe+GLU 9
Novartis 1 Calvin Spine 1 Lisozyme 10
Novartis 2 Mafalda Spine 2 ribo 1 1
Novartis 2 Mafalda Spine 2 ribo 2 2
Novartis 2 Mafalda Spine 2 ribo 3 3
Novartis 2 Mafalda Spine 2 ribo 4 4
Novartis 2 Mafalda Spine 2 ribo 5 5
Novartis 2 Mafalda Spine 2 ribo 6 6
Novartis 2 Mafalda Spine 2 ribo 7 7
Novartis 2 Mafalda Spine 2 ribo 8 8
Novartis 2 Mafalda Spine 2 ribo 9 9
Novartis 2 Mafalda Spine 2 ribo 10 10
Novartis 3 Niquel Spine 3 abc 1
Novartis 3 Niquel Spine 3 abc 2
Novartis 3 Niquel Spine 3 abc 8
Novartis 3 Niquel Spine 3 abc 9
Novartis 3 Niquel Spine 3 abc 10
Novartis 4 Hobbes Spine 4 hob 1
Novartis 4 Hobbes Spine 4 hob 2
Novartis 4 Hobbes Spine 4 hob 3
Novartis 4 Hobbes Spine 4 hob 4
Novartis 4 Hobbes Spine 4 hob 5
Novartis 4 Hobbes Spine 4 hob 6
Novartis 4 Hobbes Spine 4 hob 7
Novartis 4 Hobbes Spine 4 hob 8
Novartis 4 Hobbes Spine 4 hob 9
Novartis 4 Hobbes Spine 4 hob 10
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Priority Comments PinBarcode Directory HeavyAtoms CellParameters TargetResolution
1 small crystals 7 78 78 90 90 90
1 small crystals
1 110 99 110 90 120 90
2 cryo not ideal
2
2
6
6
1
100 this is just to test the beam
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
1
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END-OF-INPUT FramesCollected UserAssessment
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* DewarName: mandatory
o will be available on the GUI to help the user assign pucks to cats-dewar locati
o can be used to automatically create directory names
* PuckName:
o will be available on the GUI to help the user assign pucks to cats-dewar locati
o can be used to automatically create directory names
o if empty we assign this as Puck_"PuckLocation" (see column PuckLocation)
* PuckType: mandatory
o Spine or Actor
* PuckLocation: mandatory
o an integer starting at 1 and we count from the TOP
o will be available on the GUI to help the user assign pucks to cats-dewar locati
o for a given spreadsheet PuckName/PuckLocation pairs have to be consistent
* PositionInPuck: mandatory
o an integer indicating which hole in the puck the sample is in
o will be validated according to PuckType (Spine: 1-10, Actor: 1-12)
o for a given puck this number cannot be repeated
* Priority:
o an integer 1=highest, 100=lowest
* CrystalName: mandatory
o a simple string
o will be available on the GUI to help the user select a crystal by name
o can be used to automatically create directory names
* PinBarcode:
o the barcode at the bottom of the pin if it is available
* Directory:
o a relative directory specification, unix style
o empty field means we create a standard directory hierarchy
+ date/beamline/dewarname/puckname/crystalname
* HeavyAtoms:
o a string specifying which heavy atoms may be found in the crystal and which c
* CellParameters:
o the cell parameters as A B C alpha beta gamma
* TargetResolution:
o can be used to automatically move the detector to an adequate distance
* TargetSigma:
o target I/sigmaI
* TargetRedundancy:
o target redundancy
* END-OF-INPUT:
o after this column the fields may be used to report back to the user after the ex
* FramesCollected:
o how many frames have been collected
o Example: screens:10, datasets:2, ds1:180, ds2:360
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* UserAssessment:
o a simple comment by the user
o the gui must allow this comment to be added after the dataset has been collec
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user assign pucks to cats-dewar locations
user assign pucks to cats-dewar locations
Location" (see column PuckLocation)
user assign pucks to cats-dewar locations
uckLocation pairs have to be consistent, i.e. Salmon must always have PuckLocation=*1*
puck the sample is in
e (Spine: 1-10, Actor: 1-12)
user select a crystal by name
rd directory hierarchy
may be found in the crystal and which could be used in phasing
detector to an adequate distance
ed to report back to the user after the experiment is concluded
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added after the dataset has been collected
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