Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "229e88ffefd77e209b58a0099dfe6642",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 63.208,
"b": 63.208,
"c": 64.682,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.9580],
"number_observations_unique": 10718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.960],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.110,2.030],
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.210,2.110],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.320,2.210],
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.470,2.320],
"number_observations_unique": 1038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.660,2.470],
"number_observations_unique": 1085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.930,2.660],
"number_observations_unique": 1068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.350,2.930],
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.220,3.350],
"number_observations_unique": 1066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [50.000,4.220],
"number_observations_unique": 1095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}