Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d267315a49e574b5fd6fba65cb50967f",
"space_group_name": "P 1",
"unit_cell": {
"a": 61.232,
"b": 61.380,
"c": 63.069,
"alpha": 106.11,
"beta": 93.48,
"gamma": 96.47
},
"wavelengths": [0.96900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.560,1.800],
"number_observations": 192210,
"number_observations_unique": 71599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 10451,
"number_observations_unique": 4097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [60.560,9.000],
"number_observations": 1882,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}