Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2d8a946edc530f5d171d3b990885252",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 68.044,
"b": 94.026,
"c": 117.054,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.81533],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.827,1.079],
"number_observations": 1654788,
"number_observations_unique": 121124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.172,1.079],
"number_observations": 83089,
"number_observations_unique": 6056,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.383
},
{
"type": "R(meas)",
"value": 1.436
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 68.500
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [58.827,3.240],
"number_observations": 83278,
"number_observations_unique": 6054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 63.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}