Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74c40c6292fdbe1dbffa2ad5e2947052",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 76.810,
"b": 87.416,
"c": 106.182,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.380,1.960],
"number_observations_unique": 51930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations_unique": 3434,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.165
},
{
"type": "R(meas)",
"value": 1.228
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [45.380,8.980],
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 44.1
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}