Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59f3fdd2045748b2a7393da90e9925c8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.217,
"b": 51.124,
"c": 132.664,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.910],
"number_observations_unique": 22329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.910],
"number_observations_unique": 2111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.060,1.980],
"number_observations_unique": 2201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.328
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.150,2.060],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.260,2.150],
"number_observations_unique": 2206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.410,2.260],
"number_observations_unique": 2201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 90.400
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.590,2.410],
"number_observations_unique": 2192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [2.850,2.590],
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.270,2.850],
"number_observations_unique": 2277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.110,3.270],
"number_observations_unique": 2306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,4.110],
"number_observations_unique": 2426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}