Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2aead9ced6c9d620f77ec5c0fda1db14",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 66.453,
"b": 66.453,
"c": 151.203,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.790,2.050],
"number_observations": 254697,
"number_observations_unique": 13158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 10475,
"number_observations_unique": 986,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.305
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.666
}
]
},
{
"resolution_limits": [45.790,8.940],
"number_observations": 3915,
"number_observations_unique": 219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 34.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}