Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf2680bc2cba273ec402c59d3051f0f7",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 61.697,
"b": 174.680,
"c": 158.169,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97948],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.540,3.850],
"number_observations_unique": 6467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [4.310,3.850],
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.454
},
{
"type": "R(meas)",
"value": 1.581
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "Completeness",
"value": 62.300
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.623
}
]
},
{
"resolution_limits": [39.540,8.610],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}