Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff22d342cca5a32de4be658fc960a02c",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 87.556,
"b": 87.556,
"c": 102.125,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.780,1.950],
"number_observations_unique": 33369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 45997,
"number_observations_unique": 2313,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.440
},
{
"type": "R(meas)",
"value": 1.476
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [43.780,8.950],
"number_observations": 6992,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 71.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 17.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}