Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cead0cbe59a34324c5964541508ca3d4",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 72.909,
"b": 103.788,
"c": 38.032,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations": 111763,
"number_observations_unique": 21777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 1078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.519
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 1062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.316
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 1099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 1100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 1090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.100,2.910],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.330,3.100],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [5.290,4.200],
"number_observations_unique": 1141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [50.000,5.290],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
}
]
}