Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61d1962e84b1ccacf11e021a885fdd75",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 203.762,
"b": 203.762,
"c": 110.734,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.940,3.400],
"number_observations": 302552,
"number_observations_unique": 19137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.670,3.400],
"number_observations": 34248,
"number_observations_unique": 3864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [48.940,9.000],
"number_observations": 24605,
"number_observations_unique": 1163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}