Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b29ff9037afbc0a1b16a08c13aee7c77",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 123.379,
"b": 123.379,
"c": 180.834,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97892],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.831,2.390],
"number_observations_unique": 27866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 24.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.390],
"number_observations": 45106,
"number_observations_unique": 2715,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.809
},
{
"type": "R(meas)",
"value": 1.867
},
{
"type": "R(pim)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [19.640,8.930],
"number_observations": 10960,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 89.300
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}