Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "322aa6dffb6a9f13ef11071f79b75e55",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.371,
"b": 71.371,
"c": 150.282,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,1.670],
"number_observations": 596293,
"number_observations_unique": 45938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 27683,
"number_observations_unique": 2281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [29.380,8.990],
"number_observations": 3821,
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 20.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}