Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53fbd0132dcc88f556e96ed5a7ac8416",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 219.483,
"b": 75.036,
"c": 69.648,
"alpha": 90.00,
"beta": 106.26,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.430,1.700],
"number_observations": 831426,
"number_observations_unique": 117244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 39800,
"number_observations_unique": 5651,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.159
},
{
"type": "R(meas)",
"value": 2.329
},
{
"type": "R(pim)",
"value": 0.865
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [46.430,9.310],
"number_observations": 5453,
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 54.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}