Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fabe10c4322cf7955fd7b423d4e6b5f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.775,
"b": 49.585,
"c": 115.684,
"alpha": 90.00,
"beta": 94.83,
"gamma": 90.00
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [115.350,2.310],
"number_observations": 138029,
"number_observations_unique": 40349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.310],
"number_observations": 13968,
"number_observations_unique": 4129,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.216
},
{
"type": "R(meas)",
"value": 1.446
},
{
"type": "R(pim)",
"value": 0.776
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.349
}
]
},
{
"resolution_limits": [115.350,8.660],
"number_observations": 2617,
"number_observations_unique": 848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
}
]
}