Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6667ed00c5042178ae1a9a4a5935374f",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.345,
"b": 71.345,
"c": 150.179,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.370,1.370],
"number_observations": 659640,
"number_observations_unique": 81971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.370],
"number_observations": 16787,
"number_observations_unique": 3789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [29.370,7.480],
"number_observations": 5314,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}