Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "096aa998b1e59fcae6b636130586aa4d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 52.233,
"b": 68.102,
"c": 99.575,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.400],
"number_observations_unique": 14046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 87.5
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [2.490,2.440],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 88.2
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.530,2.490],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.293
},
{
"type": "Completeness",
"value": 91.3
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [2.640,2.590],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.700,2.640],
"number_observations_unique": 713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [2.770,2.700],
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [2.850,2.770],
"number_observations_unique": 712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [2.930,2.850],
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.020,2.930],
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.130,3.020],
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.260,3.130],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.410,3.260],
"number_observations_unique": 710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.580,3.410],
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [3.810,3.580],
"number_observations_unique": 715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.6
}
]
},
{
"resolution_limits": [4.100,3.810],
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [4.520,4.100],
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [5.170,4.520],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.4
}
]
},
{
"resolution_limits": [6.510,5.170],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [50.000,6.510],
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 94.6
},
{
"type": "Redundancy",
"value": 3.2
}
]
}
]
}