Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "022f9b4af328b04f43f3a456360f7dc1",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.620,
"b": 95.620,
"c": 45.845,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.600,1.330],
"number_observations": 553879,
"number_observations_unique": 47652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.350,1.330],
"number_observations": 11574,
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.725
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 0.861
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [67.600,7.290],
"number_observations": 3829,
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 60.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}