Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ccf6c9fd0c3ee5d3209469524112302",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 95.433,
"b": 95.433,
"c": 193.461,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,2.100],
"number_observations": 1363931,
"number_observations_unique": 53055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 103244,
"number_observations_unique": 4283,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.107
},
{
"type": "R(meas)",
"value": 3.174
},
{
"type": "R(pim)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [47.720,8.910],
"number_observations": 18875,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 85.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}