Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f328c3351ac2ecefc4cccdecdb31fa0",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 39.35,
"b": 180.51,
"c": 141.24,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.080,2.300],
"number_observations": 161217,
"number_observations_unique": 22863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 9098,
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.140
},
{
"type": "R(meas)",
"value": 1.284
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [47.080,8.910],
"number_observations": 3345,
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}