Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05784acfbb69ec72ac35cca3547e2341",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.141,
"b": 53.472,
"c": 44.650,
"alpha": 90.000,
"beta": 101.304,
"gamma": 90.000
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.373,1.83],
"number_observations_unique": 23313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [48.45,8.18],
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 36.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.88,1.83],
"number_observations_unique": 1587,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.220
},
{
"type": "R(meas)",
"value": 1.464
},
{
"type": "R(pim)",
"value": 0.800
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.476
}
]
}
]
}