Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1ffa75430d21345dee67e404d5d1f76",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.336,
"b": 47.381,
"c": 46.629,
"alpha": 90.00,
"beta": 103.78,
"gamma": 90.00
},
"wavelengths": [1.11582],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.380,1.540],
"number_observations": 51237,
"number_observations_unique": 16308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 1647,
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [47.380,8.440],
"number_observations": 360,
"number_observations_unique": 110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}