Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97a5b8c51c060f21fbae88ea8368bb18",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.289,
"b": 41.305,
"c": 72.039,
"alpha": 90.00,
"beta": 104.18,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.870,1.360],
"number_observations": 163103,
"number_observations_unique": 49512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.380,1.360],
"number_observations": 3784,
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 61.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [39.870,7.420],
"number_observations": 1176,
"number_observations_unique": 352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}