Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51348d4b02bef74cb60b581acfd9f93d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.418,
"b": 88.279,
"c": 59.114,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.370,1.260],
"number_observations": 173942,
"number_observations_unique": 25238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.260],
"number_observations": 6301,
"number_observations_unique": 1172,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.038
},
{
"type": "R(meas)",
"value": 1.150
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [35.370,6.900],
"number_observations": 1060,
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 93.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}