Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2620124d5eec7d6b879271763df22423",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.637,
"b": 62.290,
"c": 116.664,
"alpha": 90.00,
"beta": 98.06,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.15,2.727],
"number_observations_unique": 25843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 87.9
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.81,2.727],
"number_observations_unique": 1293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "R(pim)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 51.1
},
{
"type": "Redundancy",
"value": 2.3
},
{
"type": "CC(1/2)",
"value": 0.530
}
]
},
{
"resolution_limits": [48.15,7.831],
"number_observations_unique": 1291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.08
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}