Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9e96665694d76b39f8deca6ffa6ade7",
"space_group_name": "P 41",
"unit_cell": {
"a": 87.46,
"b": 87.46,
"c": 147.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91836],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.920,3.100],
"number_observations": 273453,
"number_observations_unique": 20107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.310,3.100],
"number_observations": 50754,
"number_observations_unique": 3616,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.203
},
{
"type": "R(meas)",
"value": 6.433
},
{
"type": "R(pim)",
"value": 1.697
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.729
}
]
},
{
"resolution_limits": [41.920,8.770],
"number_observations": 12422,
"number_observations_unique": 905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}