Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cd4294edd8ed3d510a2b700dad8f445",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.514,
"b": 71.514,
"c": 150.522,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,1.140],
"number_observations": 1271438,
"number_observations_unique": 121299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 1459,
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.585
},
{
"type": "R(meas)",
"value": 2.099
},
{
"type": "R(pim)",
"value": 1.358
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 12.700
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.104
}
]
},
{
"resolution_limits": [29.430,6.250],
"number_observations": 12952,
"number_observations_unique": 1031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 65.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}