Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e4e936aaedc592e07d70067b1499782",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 99.113,
"b": 175.239,
"c": 277.269,
"alpha": 90.00,
"beta": 94.81,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [276.291,2.840],
"number_observations_unique": 161935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 93.7
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [3.100,2.840],
"number_observations_unique": 8099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.885
},
{
"type": "R(meas)",
"value": 1.016
},
{
"type": "R(pim)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 53.8
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [276.291,8.612],
"number_observations_unique": 8097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.9
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}