Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f3520a9a88048b7595ffb7d5bd015e4b",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.86,
"b": 67.86,
"c": 167.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.090,1.900],
"number_observations": 168761,
"number_observations_unique": 18294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10943,
"number_observations_unique": 1160,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.074
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [34.090,9.110],
"number_observations": 1482,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}