{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ce7560060e377b67d14861baa894e62c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 74.298,
"b": 91.746,
"c": 119.985,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97924],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.350],
"number_observations_unique": 33480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.350],
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.430,2.390],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 1630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.558
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.650,2.590],
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [2.710,2.650],
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.790,2.710],
"number_observations_unique": 1645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations_unique": 1653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.070,2.960],
"number_observations_unique": 1664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.190,3.070],
"number_observations_unique": 1659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.330,3.190],
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.510,3.330],
"number_observations_unique": 1671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.730,3.510],
"number_observations_unique": 1674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.020,3.730],
"number_observations_unique": 1693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [4.420,4.020],
"number_observations_unique": 1683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [5.060,4.420],
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [6.370,5.060],
"number_observations_unique": 1735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,6.370],
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}
|