Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "712b975bd1bc4f5e2e805d71f2d40a41",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.828,
"b": 67.311,
"c": 138.691,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.690,2.050],
"number_observations": 276096,
"number_observations_unique": 40677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 22107,
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.430
},
{
"type": "R(meas)",
"value": 3.702
},
{
"type": "R(pim)",
"value": 1.384
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.476
}
]
},
{
"resolution_limits": [138.690,8.940],
"number_observations": 3248,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
}
]
}