Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4c29db78e2142e4407926cb2cdb63df",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 95.692,
"b": 95.692,
"c": 192.402,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.850,2.400],
"number_observations": 618916,
"number_observations_unique": 35822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 60213,
"number_observations_unique": 3681,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.409
},
{
"type": "R(meas)",
"value": 3.518
},
{
"type": "R(pim)",
"value": 0.848
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.400
},
{
"type": "CC(1/2)",
"value": 0.432
}
]
},
{
"resolution_limits": [47.850,8.980],
"number_observations": 13037,
"number_observations_unique": 807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 16.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}