Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c62fdbc91e36ff88a15070f91555d7c7",
"space_group_name": "P 1",
"unit_cell": {
"a": 39.173,
"b": 51.991,
"c": 52.180,
"alpha": 70.08,
"beta": 80.25,
"gamma": 78.05
},
"wavelengths": [1.20000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations_unique": 26390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 78.700
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 1304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.100,2.910],
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [3.330,3.100],
"number_observations_unique": 1343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 10.400
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 10.300
}
]
},
{
"resolution_limits": [5.290,4.200],
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [50.000,5.290],
"number_observations_unique": 1326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.600
}
]
}
]
}