Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c11f14529c71645d858c617c2dfe3c5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 140.16,
"b": 71.75,
"c": 127.42,
"alpha": 90.00,
"beta": 112.53,
"gamma": 90.00
},
"wavelengths": [0.98322],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.570,1.950],
"number_observations_unique": 84496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 24.607
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.95],
"number_observations_unique": 4090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "Completeness",
"value": 96.30
},
{
"type": "Redundancy",
"value": 3.10
}
]
},
{
"resolution_limits": [2.02,1.98],
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "Completeness",
"value": 97.90
},
{
"type": "Redundancy",
"value": 3.30
}
]
},
{
"resolution_limits": [2.06,2.02],
"number_observations_unique": 4130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.10,2.06],
"number_observations_unique": 4175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.15,2.10],
"number_observations_unique": 4184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.20,2.15],
"number_observations_unique": 4194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.25,2.20],
"number_observations_unique": 4238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.31,2.25],
"number_observations_unique": 4230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 99.20
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.38,2.31],
"number_observations_unique": 4206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.46,2.38],
"number_observations_unique": 4243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.54,2.46],
"number_observations_unique": 4234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.65,2.54],
"number_observations_unique": 4214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.77,2.65],
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.91,2.77],
"number_observations_unique": 4291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.10,2.91],
"number_observations_unique": 4211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.33,3.10],
"number_observations_unique": 4268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.67,3.33],
"number_observations_unique": 4282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.20,3.67],
"number_observations_unique": 4263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [5.29,4.20],
"number_observations_unique": 4290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [50.00,5.29],
"number_observations_unique": 4339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}