Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0fed4a9c91a231b2d09e7fcaa65d42a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.579,
"b": 49.922,
"c": 117.517,
"alpha": 90.00,
"beta": 94.55,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [117.150,2.040],
"number_observations": 205316,
"number_observations_unique": 59263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 15527,
"number_observations_unique": 4332,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.466
},
{
"type": "R(meas)",
"value": 1.726
},
{
"type": "R(pim)",
"value": 0.905
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [117.150,9.110],
"number_observations": 2244,
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 44.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}