Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "102f94ef6f88784cb495a5877fdaeeb8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 49.084,
"b": 114.057,
"c": 164.315,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.5347,1.750],
"number_observations_unique": 41594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.87,1.85],
"number_observations": 4056,
"number_observations_unique": 1934,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.836
},
{
"type": "R(meas)",
"value": 2.107
},
{
"type": "R(pim)",
"value": 1.010
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Completeness",
"value": 41.000
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [39.530,9.080],
"number_observations": 4075,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}