Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebb9f46c97c693f6d356e98b268f0f73",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.67,
"b": 67.67,
"c": 166.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.920,1.900],
"number_observations": 168117,
"number_observations_unique": 18654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10830,
"number_observations_unique": 1167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [33.920,9.110],
"number_observations": 1548,
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}