Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2d631a89dbd41eb9f7e6d85d407580f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.930,
"b": 102.233,
"c": 146.012,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11584],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.670,2.160],
"number_observations": 234543,
"number_observations_unique": 36113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.160],
"number_observations": 18729,
"number_observations_unique": 2988,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.997
},
{
"type": "R(meas)",
"value": 3.270
},
{
"type": "R(pim)",
"value": 1.287
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.179
}
]
},
{
"resolution_limits": [48.670,8.910],
"number_observations": 3602,
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}