Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c450b2958d3d4e155bd668f66377f2c8",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 72.066,
"b": 72.066,
"c": 89.048,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.41,2.10],
"number_observations_unique": 15292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 94.9
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [62.41,8.91],
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.3
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations_unique": 1312,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.644
},
{
"type": "R(meas)",
"value": 1.966
},
{
"type": "R(pim)",
"value": 1.063
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.146
}
]
}
]
}