Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b9eb0d4339a95932be672019d2a641c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.73,
"b": 48.97,
"c": 114.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.010,2.150],
"number_observations": 72721,
"number_observations_unique": 12437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 5512,
"number_observations_unique": 1044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.926
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
},
{
"resolution_limits": [45.010,8.860],
"number_observations": 1075,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}