Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e8758b0a976b2c7e5c2c3e9bb3274f7",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 72.014,
"b": 115.319,
"c": 174.164,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.25000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.910,2.740],
"number_observations": 298683,
"number_observations_unique": 24308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.969,2.740],
"number_observations": 16041,
"number_observations_unique": 1215,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.820
},
{
"type": "R(meas)",
"value": 1.892
},
{
"type": "R(pim)",
"value": 0.514
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 61.700
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.367
}
]
},
{
"resolution_limits": [40.910,8.961],
"number_observations": 12528,
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}