Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8e57f3eb65627f15e76a6236986f1e59",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.79,
"b": 67.79,
"c": 167.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.060,1.900],
"number_observations": 168979,
"number_observations_unique": 18252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10944,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.643
},
{
"type": "R(meas)",
"value": 0.680
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [34.060,9.110],
"number_observations": 1480,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 44.300
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}