Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71a2a0cb0884ea63cd6f1a642bf44141",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.878,
"b": 133.823,
"c": 118.845,
"alpha": 90.00,
"beta": 90.23,
"gamma": 90.00
},
"wavelengths": [0.97777],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.860,2.100],
"number_observations": 456667,
"number_observations_unique": 119998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 16927,
"number_observations_unique": 5023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 84.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [88.860,11.500],
"number_observations": 2781,
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}