Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83810b1664ff435f03e6df59df286abe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.508,
"b": 56.605,
"c": 101.604,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.470,1.760],
"number_observations": 184309,
"number_observations_unique": 32327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.340
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.760],
"number_observations": 35157,
"number_observations_unique": 5786,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.384
},
{
"type": "R(meas)",
"value": 3.714
},
{
"type": "R(pim)",
"value": 1.510
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.141
}
]
},
{
"resolution_limits": [21.470,4.980],
"number_observations": 9807,
"number_observations_unique": 1567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}