Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3dc57243a333eaffaea3c61d7c0401c3",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 37.15,
"b": 85.31,
"c": 95.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.48,1.900],
"number_observations_unique": 24400,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.441
},
{
"type": "R(meas)",
"value": 0.5969
},
{
"type": "R(pim)",
"value": 2.333
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.279
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 10694,
"number_observations_unique": 1522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13602
},
{
"type": "R(meas)",
"value": 15.103
},
{
"type": "R(pim)",
"value": 6.236
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.241
}
]
},
{
"resolution_limits": [47.510,9.110],
"number_observations": 2826,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}