Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2df50992d21217eb7044d7e1e5f2f32",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.842,
"b": 77.385,
"c": 89.115,
"alpha": 90.00,
"beta": 96.66,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.200],
"number_observations_unique": 166019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.23,1.20],
"number_observations_unique": 11100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [1.26,1.23],
"number_observations_unique": 11068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [1.29,1.26],
"number_observations_unique": 11123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [1.33,1.29],
"number_observations_unique": 11125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [1.37,1.33],
"number_observations_unique": 11108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [1.42,1.37],
"number_observations_unique": 11106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [1.48,1.42],
"number_observations_unique": 11105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [1.55,1.48],
"number_observations_unique": 11072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [1.63,1.55],
"number_observations_unique": 11072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.73,1.63],
"number_observations_unique": 11212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.86,1.73],
"number_observations_unique": 11083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.05,1.86],
"number_observations_unique": 11119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.35,2.05],
"number_observations_unique": 11212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [2.96,2.35],
"number_observations_unique": 11129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [50.00,2.96],
"number_observations_unique": 10385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 91.60
},
{
"type": "Redundancy",
"value": 3.80
}
]
}
]
}