Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1aabd1960ceccd7faade75eef491f5c5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.01,
"b": 58.36,
"c": 63.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,3.35000,4.35000,2.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.07],
"number_observations_unique": 61354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 24.7
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.10,1.07],
"number_observations_unique": 2172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.817
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [1.80,1.70],
"number_observations_unique": 1490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 87.9
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [1.8,1.7],
"number_observations_unique": 1022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 66.5
},
{
"type": "Redundancy",
"value": 1.7
}
]
},
{
"resolution_limits": [1.66,1.6],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 54.6
}
]
}
]
}