Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d95b8dad2b49c9ca697920d3e9243d3a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 54.738,
"b": 79.771,
"c": 66.089,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.490,2.150],
"number_observations": 16628,
"number_observations_unique": 7984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 1061,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.349
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [14.490,8.860],
"number_observations": 165,
"number_observations_unique": 86,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 74.400
},
{
"type": "Completeness",
"value": 66.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}