Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7dc1137a3dd2ccf76789273f35bab51",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.20,
"b": 90.64,
"c": 98.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.610,1.870],
"number_observations": 284683,
"number_observations_unique": 25385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.870],
"number_observations": 9345,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.952
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [29.610,8.360],
"number_observations": 3550,
"number_observations_unique": 321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 11.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}