Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ce5627d41a037b680fac6fa2c2543b82",
"space_group_name": "P 61",
"unit_cell": {
"a": 149.078,
"b": 149.078,
"c": 75.813,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97961,0.97944,0.91161],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.43,2.5],
"number_observations_unique": 25341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.6,2.5],
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.239
},
{
"type": "R(meas)",
"value": 1.356
},
{
"type": "R(pim)",
"value": 0.540
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [2.59,2.5],
"number_observations_unique": 3504,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.063
},
{
"type": "R(meas)",
"value": 4.343
},
{
"type": "R(pim)",
"value": 1.498
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 92.4
},
{
"type": "Redundancy",
"value": 15.7
},
{
"type": "CC(1/2)",
"value": 0.79
}
]
},
{
"resolution_limits": [2.59,2.5],
"number_observations_unique": 3635,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.32
},
{
"type": "R(meas)",
"value": 3.522
},
{
"type": "R(pim)",
"value": 1.157
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 96
},
{
"type": "Redundancy",
"value": 17.2
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
}
]
}