Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "682c7cfdcb66124c480919f73e8f25c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.519,
"b": 79.031,
"c": 54.870,
"alpha": 90.00,
"beta": 106.42,
"gamma": 90.00
},
"wavelengths": [0.97648],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.418],
"number_observations_unique": 17016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.430],
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.700
}
]
},
{
"resolution_limits": [2.520,2.470],
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.570,2.520],
"number_observations_unique": 816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [2.620,2.570],
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.670,2.620],
"number_observations_unique": 826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [2.800,2.740],
"number_observations_unique": 828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.880,2.800],
"number_observations_unique": 869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.960,2.880],
"number_observations_unique": 837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.060,2.960],
"number_observations_unique": 856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.300,3.170],
"number_observations_unique": 858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.440,3.300],
"number_observations_unique": 873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [3.620,3.440],
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [3.850,3.620],
"number_observations_unique": 863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.150,3.850],
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [4.560,4.150],
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [5.210,4.560],
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [6.520,5.210],
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [10,6.520],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
}
]
}