Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3984bae6c42c5e5986729514d85ccf1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 64.917,
"b": 64.917,
"c": 242.602,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.9030,1.510],
"number_observations_unique": 155178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.510],
"number_observations": 74682,
"number_observations_unique": 7921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.976
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "R(pim)",
"value": 0.329
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [45.900,5.850],
"number_observations": 12323,
"number_observations_unique": 1662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}