Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcb4776f3d1c5093f913781ba4e5871a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.706,
"b": 53.896,
"c": 44.750,
"alpha": 90.0,
"beta": 101.1,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.140,1.700],
"number_observations": 305100,
"number_observations_unique": 29633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 15003,
"number_observations_unique": 1575,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.488
},
{
"type": "R(meas)",
"value": 2.627
},
{
"type": "R(pim)",
"value": 0.834
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.608
}
]
},
{
"resolution_limits": [28.140,9.000],
"number_observations": 1998,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}