Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "156981cd1d83a23158d6f04d87d63327",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.81,
"b": 81.46,
"c": 31.97,
"alpha": 90.0,
"beta": 117.9,
"gamma": 90.0
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.730,1.140],
"number_observations": 98718,
"number_observations_unique": 37100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.140],
"number_observations": 315,
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 8.400
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [40.730,5.100],
"number_observations": 1865,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}