Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "410e5eb808c193bd6c6c0dd78952d9b4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.787,
"b": 75.543,
"c": 91.382,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.590,1.670],
"number_observations": 164764,
"number_observations_unique": 37768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 84.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 7776,
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "R(pim)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 84.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.595
}
]
},
{
"resolution_limits": [29.590,9.000],
"number_observations": 896,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 45.700
},
{
"type": "Completeness",
"value": 67.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}