Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db1555b65ad391fe3d93c27fe950a2db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 168.536,
"b": 223.125,
"c": 193.062,
"alpha": 90.00,
"beta": 100.92,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.220,3.290],
"number_observations": 816457,
"number_observations_unique": 105549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [3.350,3.290],
"number_observations": 40606,
"number_observations_unique": 5201,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.436
},
{
"type": "R(meas)",
"value": 4.750
},
{
"type": "R(pim)",
"value": 1.694
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.278
}
]
}
]
}