Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2adf0dae8dae94ca6bee4547f04eb54f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.714,
"b": 84.169,
"c": 160.215,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.86099],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.0940,2.000],
"number_observations_unique": 41733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 25352,
"number_observations_unique": 3014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.754
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [45.090,8.950],
"number_observations": 4304,
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}