Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ffe065c2313314bf8861f88e8595bf96",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.297,
"b": 68.970,
"c": 49.629,
"alpha": 90.00,
"beta": 98.02,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.900,1.500],
"number_observations": 344180,
"number_observations_unique": 60131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 17629,
"number_observations_unique": 2963,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [58.900,8.220],
"number_observations": 2097,
"number_observations_unique": 390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}