Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f2cddb3133e69a9fbfe3dbac00939ed",
"space_group_name": "I 4",
"unit_cell": {
"a": 95.48,
"b": 95.48,
"c": 45.90,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.260,1.430],
"number_observations": 490982,
"number_observations_unique": 38341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 25929,
"number_observations_unique": 2808,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.764
},
{
"type": "R(meas)",
"value": 2.928
},
{
"type": "R(pim)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [31.260,6.400],
"number_observations": 5702,
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}