Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "227d8901850e0faa5745f2fce80b960b",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.557,
"b": 95.557,
"c": 45.929,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.560,1.340],
"number_observations": 548202,
"number_observations_unique": 46596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 11889,
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.989
},
{
"type": "R(meas)",
"value": 2.216
},
{
"type": "R(pim)",
"value": 0.940
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [67.560,7.340],
"number_observations": 3755,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 69.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}