Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bb2d65999a94728b3d66e61904f84ee",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.94,
"b": 118.20,
"c": 133.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.900],
"number_observations_unique": 10420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 73.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [3.00,2.90],
"number_observations_unique": 168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 12.10
},
{
"type": "Redundancy",
"value": 1.30
}
]
},
{
"resolution_limits": [3.12,3.00],
"number_observations_unique": 466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "Completeness",
"value": 33.40
},
{
"type": "Redundancy",
"value": 2.10
}
]
},
{
"resolution_limits": [3.27,3.12],
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "Completeness",
"value": 53.90
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [3.44,3.27],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 67.90
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.65,3.44],
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 80.10
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.94,3.65],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 92.20
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [4.33,3.94],
"number_observations_unique": 1379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 97.60
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [4.96,4.33],
"number_observations_unique": 1395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 4.40
}
]
},
{
"resolution_limits": [6.24,4.96],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 98.60
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [50.00,6.24],
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 4.20
}
]
}
]
}