Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a48ba8bf5f5d2deb43f2dbd4f037cb1f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.365,
"b": 52.995,
"c": 44.710,
"alpha": 90.00,
"beta": 102.66,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.820,1.920],
"number_observations": 66660,
"number_observations_unique": 19807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.920],
"number_observations": 9909,
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.375
},
{
"type": "R(meas)",
"value": 1.629
},
{
"type": "R(pim)",
"value": 0.866
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.372
}
]
},
{
"resolution_limits": [54.820,6.060],
"number_observations": 2061,
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}