Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d57d99d9d4e8eaf219081bb5da73ea1a",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 102.585,
"b": 102.585,
"c": 86.174,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.54,2.01],
"number_observations_unique": 26105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.119,2.015],
"number_observations": 8590,
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.240
},
{
"type": "R(meas)",
"value": 1.347
},
{
"type": "R(pim)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 66.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [72.539,6.007],
"number_observations": 9219,
"number_observations_unique": 1305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}