Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecdb57317c5cdb1971921d96ad135c01",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.44,
"b": 84.45,
"c": 112.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81230],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.54,1.35],
"number_observations_unique": 116112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 21.29
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.40,1.35],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "I/SigI",
"value": 4.53
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [1.55,1.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 7.19
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.70,1.55],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 12.26
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.90,1.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 18.94
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.20,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 29.78
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}