Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7e35972140c0e6f9a5c1cfbe4f136fbc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.724,
"b": 96.457,
"c": 58.467,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.230,1.980],
"number_observations": 98067,
"number_observations_unique": 16036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations": 1939,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.177
},
{
"type": "R(meas)",
"value": 1.363
},
{
"type": "R(pim)",
"value": 0.661
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 49.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [29.230,9.070],
"number_observations": 1206,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}