Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f13b85d403dc24bfb6423c1d712ce4c3",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 62.948,
"b": 75.713,
"c": 118.148,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97929],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.940,2.080],
"number_observations": 114540,
"number_observations_unique": 17163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 5229,
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [34.940,9.070],
"number_observations": 1366,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}