Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf6386ddc69d545e5deb8b61bf661c02",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.76,
"b": 56.91,
"c": 114.92,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.730,1.470],
"number_observations": 383630,
"number_observations_unique": 58622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 26181,
"number_observations_unique": 4265,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.658
},
{
"type": "R(meas)",
"value": 1.812
},
{
"type": "R(pim)",
"value": 0.727
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.519
}
]
},
{
"resolution_limits": [28.730,6.570],
"number_observations": 4465,
"number_observations_unique": 753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}