Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cd6b16ca11a85c7f27301e03360868a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 28.20,
"b": 65.40,
"c": 31.64,
"alpha": 90.00,
"beta": 113.24,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.700,1.200],
"number_observations_unique": 30531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [32.700,6.580],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 44.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}