Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "baf5e2f7c3336db82eda095e0c6773ff",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 100.89,
"b": 101.92,
"c": 126.20,
"alpha": 90.00,
"beta": 106.44,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.3820,1.460],
"number_observations_unique": 385095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.460],
"number_observations": 25200,
"number_observations_unique": 11043,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.298
},
{
"type": "R(meas)",
"value": 1.684
},
{
"type": "R(pim)",
"value": 1.055
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 52.800
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.323
}
]
},
{
"resolution_limits": [48.380,8.000],
"number_observations": 14158,
"number_observations_unique": 2609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 44.400
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}