Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c0157f9cb94dc306a41885f4122e0a12",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 172.216,
"b": 70.833,
"c": 103.735,
"alpha": 90.00,
"beta": 98.02,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.720,2.550],
"number_observations": 272465,
"number_observations_unique": 40496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.550],
"number_observations": 30448,
"number_observations_unique": 4568,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.476
},
{
"type": "R(meas)",
"value": 1.602
},
{
"type": "R(pim)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.413
}
]
},
{
"resolution_limits": [102.720,9.190],
"number_observations": 5840,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 43.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}