Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3889e7e8ae775dffeecd3db47b78ff65",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 156.370,
"b": 156.370,
"c": 141.455,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.700],
"number_observations_unique": 18255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.700],
"number_observations_unique": 1791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations_unique": 1796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.200,3.040],
"number_observations_unique": 1810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.660,3.400],
"number_observations_unique": 1816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.030,3.660],
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [4.610,4.030],
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [5.800,4.610],
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [30.000,5.800],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
}
]
}
]
}