Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4af13338717289f14c80526ba61d4563",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.745,
"b": 45.396,
"c": 83.350,
"alpha": 90.0,
"beta": 102.1,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.470,1.430],
"number_observations": 290419,
"number_observations_unique": 84712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 21029,
"number_observations_unique": 6217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "R(meas)",
"value": 0.723
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [28.470,6.390],
"number_observations": 3465,
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}