Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d81a28043606d28bdef0b949e1cc50c",
"space_group_name": "I 4",
"unit_cell": {
"a": 67.854,
"b": 67.854,
"c": 121.891,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.80000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.700,2.350],
"number_observations": 114803,
"number_observations_unique": 11445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 10501,
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.294
},
{
"type": "R(meas)",
"value": 1.366
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [37.700,9.100],
"number_observations": 2055,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}