Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7862b3c8bd729a2a09c709a1a30f7fb6",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 66.55,
"b": 89.33,
"c": 100.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.390,1.910],
"number_observations": 259260,
"number_observations_unique": 22956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.910],
"number_observations": 7106,
"number_observations_unique": 1346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 79.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [33.390,8.540],
"number_observations": 3238,
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.900
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}