Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d53c54563e9096e28dd98e4abb258bd",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 114.907,
"b": 50.137,
"c": 37.463,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.71941],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.618,1.377],
"number_observations_unique": 45738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 17.8
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 2.5
}
]
},
"refln_shells": [
{
"resolution_limits": [1.39,1.377],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [1.42,1.39],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [1.45,1.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.605
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 4.4
}
]
}
]
}