Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "03c9360ea27eb1ba163df467e2c0a7f5",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 58.658,
"b": 70.850,
"c": 98.342,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.060,2.380],
"number_observations": 71063,
"number_observations_unique": 15678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.470,2.380],
"number_observations": 7304,
"number_observations_unique": 1666,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.238
},
{
"type": "R(meas)",
"value": 1.416
},
{
"type": "R(pim)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
},
{
"resolution_limits": [41.060,8.910],
"number_observations": 1405,
"number_observations_unique": 318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}