Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9bc0ebd2dc3c31fc121c2caaa17da249",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 181.281,
"b": 181.281,
"c": 181.281,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950,1.73892,1.75120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.66,2.18],
"number_observations_unique": 13865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 21.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.30,2.18],
"number_observations_unique": 1952,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.092
},
{
"type": "R(meas)",
"value": 1.138
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 3.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.0
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.55,2.42],
"number_observations_unique": 1436,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.607
},
{
"type": "R(meas)",
"value": 1.695
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 16.9
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [2.61,2.48],
"number_observations_unique": 1364,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.377
},
{
"type": "R(meas)",
"value": 1.449
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.1
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
}
]
}