Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d0058a4b75ce3d19a123b61c5dad28fe",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.945,
"b": 56.621,
"c": 114.729,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.4300,1.880],
"number_observations": 177728,
"number_observations_unique": 28375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.880],
"number_observations": 13295,
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.396
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.748
}
]
},
{
"resolution_limits": [57.460,8.410],
"number_observations": 2272,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}