Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "48148dbf17b065ad6698048ae62f40b2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.514,
"b": 52.708,
"c": 44.455,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.860,1.610],
"number_observations": 109850,
"number_observations_unique": 32640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations": 4540,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.637
},
{
"type": "R(meas)",
"value": 2.009
},
{
"type": "R(pim)",
"value": 1.148
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.258
}
]
},
{
"resolution_limits": [54.860,8.680],
"number_observations": 865,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}