Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b52090ecc02f1836984ec7b30acc1ab2",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 42.10,
"b": 42.10,
"c": 34.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97264],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,1.490],
"number_observations": 56180,
"number_observations_unique": 5252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.697
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.490],
"number_observations_unique": 771,
"quality_factors": [
{
"type": "Completeness",
"value": 93.90
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.453
}
]
},
{
"resolution_limits": [1.69,1.58],
"number_observations_unique": 798,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.82,1.69],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.00,1.82],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.23,2.00],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.58,2.23],
"number_observations_unique": 563,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.15,2.58],
"number_observations_unique": 484,
"quality_factors": [
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.43,3.15],
"number_observations_unique": 388,
"quality_factors": [
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [10.697,4.43],
"number_observations_unique": 246,
"quality_factors": [
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}