Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac1ef5eb86f5c96b5036a6c585386b71",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 29.304,
"b": 127.803,
"c": 257.550,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.950],
"number_observations_unique": 68019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.950],
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.020,1.980],
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.060,2.020],
"number_observations_unique": 3226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.502
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.100,2.060],
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "Completeness",
"value": 88.900
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.150,2.100],
"number_observations_unique": 3256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.200,2.150],
"number_observations_unique": 3283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [2.250,2.200],
"number_observations_unique": 3326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations_unique": 3276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations_unique": 3406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.460,2.380],
"number_observations_unique": 3416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations_unique": 3368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations_unique": 3497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.770,2.650],
"number_observations_unique": 3411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [2.910,2.770],
"number_observations_unique": 3547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.100,2.910],
"number_observations_unique": 3455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.330,3.100],
"number_observations_unique": 3569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.900
}
]
},
{
"resolution_limits": [3.670,3.330],
"number_observations_unique": 3584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [4.200,3.670],
"number_observations_unique": 3571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [5.290,4.200],
"number_observations_unique": 3623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [50.000,5.290],
"number_observations_unique": 3675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}