Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49349942c832724df3eaef97d61df42e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.624,
"b": 83.908,
"c": 118.583,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.050],
"number_observations_unique": 37090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 95.8
},
{
"type": "Redundancy",
"value": 11.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.050],
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "Completeness",
"value": 73.6
},
{
"type": "Redundancy",
"value": 5.50
}
]
},
{
"resolution_limits": [2.210,2.120],
"number_observations_unique": 3365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "Completeness",
"value": 87.9
},
{
"type": "Redundancy",
"value": 6.90
}
]
},
{
"resolution_limits": [2.310,2.210],
"number_observations_unique": 3709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [2.430,2.310],
"number_observations_unique": 3780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 11.70
}
]
},
{
"resolution_limits": [2.580,2.430],
"number_observations_unique": 3826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 12.70
}
]
},
{
"resolution_limits": [2.780,2.580],
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.90
}
]
},
{
"resolution_limits": [3.060,2.780],
"number_observations_unique": 3844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.10
}
]
},
{
"resolution_limits": [3.510,3.060],
"number_observations_unique": 3894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.80
}
]
},
{
"resolution_limits": [4.420,3.510],
"number_observations_unique": 3930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.50
}
]
},
{
"resolution_limits": [50.000,4.420],
"number_observations_unique": 4105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 14.00
}
]
}
]
}