Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd6b0329b4ef019c6d4632af29ee7135",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.804,
"b": 62.016,
"c": 53.076,
"alpha": 90.0,
"beta": 106.5,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.960,1.450],
"number_observations": 165408,
"number_observations_unique": 48395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations_unique": 2364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [42.960,7.940],
"number_observations_unique": 312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 77.3
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}