Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3589060fd7562968a96205fab9ba97b8",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.46,
"b": 67.12,
"c": 126.80,
"alpha": 89.94,
"beta": 90.01,
"gamma": 90.29
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.110,2.170],
"number_observations_unique": 65093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.170],
"number_observations_unique": 6077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 1.164
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 87.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [46.110,8.400],
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}