Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d5ce662dbfdb4baff71efe5dd4f5e39",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.858,
"b": 84.154,
"c": 84.909,
"alpha": 90.00,
"beta": 98.04,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.900,2.300],
"number_observations": 302573,
"number_observations_unique": 42138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 29996,
"number_observations_unique": 4090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [46.900,8.910],
"number_observations": 5243,
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}