Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b176b9bbc1b6e45a2643501d6d3d87fb",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.209,
"b": 70.227,
"c": 86.037,
"alpha": 103.13,
"beta": 96.93,
"gamma": 111.98
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.520,2.350],
"number_observations": 168750,
"number_observations_unique": 49562,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.420,2.350],
"number_observations": 13730,
"number_observations_unique": 4441,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.796
},
{
"type": "R(meas)",
"value": 2.184
},
{
"type": "R(pim)",
"value": 1.218
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
},
{
"resolution_limits": [81.520,9.380],
"number_observations": 2885,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}