Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d724a6caef7eb0897ee7ba110eec7f99",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.561,
"b": 71.561,
"c": 150.697,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.460,1.140],
"number_observations": 1239444,
"number_observations_unique": 125718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 1048,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.022
},
{
"type": "R(meas)",
"value": 4.190
},
{
"type": "R(pim)",
"value": 2.893
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 11.600
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.113
}
]
},
{
"resolution_limits": [29.460,6.250],
"number_observations": 12987,
"number_observations_unique": 1034,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 66.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}