Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e138b433e5d34376953fc7e0a86b2f65",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 69.826,
"b": 88.732,
"c": 97.212,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.540,2.210],
"number_observations": 196982,
"number_observations_unique": 15370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 14565,
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.151
},
{
"type": "R(meas)",
"value": 2.239
},
{
"type": "R(pim)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [65.540,9.880],
"number_observations": 1855,
"number_observations_unique": 210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}