Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5263083f7145fc239e1f5edb0c3f65f4",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 177.609,
"b": 177.609,
"c": 246.109,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [130.430,1.840],
"number_observations": 1372322,
"number_observations_unique": 127755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 27.700
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.840],
"number_observations": 158014,
"number_observations_unique": 17261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [130.430,5.810],
"number_observations": 46095,
"number_observations_unique": 4297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 74.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}