Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "995d99f415b113a20b39b4ac1b70ce0c",
"space_group_name": "P 1",
"unit_cell": {
"a": 42.698,
"b": 69.505,
"c": 91.721,
"alpha": 99.566,
"beta": 99.854,
"gamma": 90.191
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.530,1.920],
"number_observations": 263682,
"number_observations_unique": 73848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 14265,
"number_observations_unique": 4228,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.358
},
{
"type": "R(meas)",
"value": 1.606
},
{
"type": "R(pim)",
"value": 0.848
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 73.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [44.530,8.590],
"number_observations": 3018,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}