Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0bb662e6528c7541d6f5c66aa0742e5e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.193,
"b": 48.403,
"c": 75.394,
"alpha": 90.00,
"beta": 93.19,
"gamma": 90.00
},
"wavelengths": [0.98750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.70],
"number_observations": 221250,
"number_observations_unique": 37604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.70],
"number_observations_unique": 3696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.256
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [1.83,1.76],
"number_observations_unique": 3697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [1.91,1.83],
"number_observations_unique": 3719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.02,1.91],
"number_observations_unique": 3741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.14,2.02],
"number_observations_unique": 3774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [2.31,2.14],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.54,2.31],
"number_observations_unique": 3755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.91,2.54],
"number_observations_unique": 3771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.66,2.91],
"number_observations_unique": 3807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [50.00,3.66],
"number_observations_unique": 3887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
}
]
}