Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e436469c91e6f0ef784e74bef7ffa01",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 112.92,
"b": 112.92,
"c": 42.97,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97957],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.960,1.700],
"number_observations": 140978,
"number_observations_unique": 34562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.700],
"number_observations": 20318,
"number_observations_unique": 5064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [36.960,5.380],
"number_observations": 4550,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}