Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "abe575699ac8bf838c765d35c449c40e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.288,
"b": 112.163,
"c": 62.634,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.350,1.330],
"number_observations": 614027,
"number_observations_unique": 66729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.330],
"number_observations": 44441,
"number_observations_unique": 4896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.369
},
{
"type": "R(meas)",
"value": 1.452
},
{
"type": "R(pim)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [66.350,5.950],
"number_observations": 7851,
"number_observations_unique": 842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}