Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75a89af01a059fc08977e855f961ce4c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.771,
"b": 52.953,
"c": 44.472,
"alpha": 90.00,
"beta": 103.09,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.940,1.580],
"number_observations": 111218,
"number_observations_unique": 34620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 4182,
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.423
},
{
"type": "R(meas)",
"value": 1.767
},
{
"type": "R(pim)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [54.940,8.660],
"number_observations": 861,
"number_observations_unique": 232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}