Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9093d20d61f9827493b4b9d5ff68dff4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.109,
"b": 56.248,
"c": 101.782,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,2.000],
"number_observations": 138607,
"number_observations_unique": 21937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 9187,
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.044
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "R(pim)",
"value": 0.441
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [29.050,8.940],
"number_observations": 1713,
"number_observations_unique": 291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 54.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}