Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "192f139783e8f94c4304fa3de8f9b95b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.723,
"b": 76.512,
"c": 128.918,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 29201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 1416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.530,2.490],
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 1454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 1465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 1450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.410,3.260],
"number_observations_unique": 1471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [3.580,3.410],
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 1477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 1477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.520,4.100],
"number_observations_unique": 1479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [5.170,4.520],
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [6.510,5.170],
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [50.000,6.510],
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 3.800
}
]
}
]
}