Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f689308ebd6ab4727e9e29827d84f7b3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.322,
"b": 106.879,
"c": 152.761,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.370,1.940],
"number_observations": 927834,
"number_observations_unique": 68983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.940],
"number_observations": 55364,
"number_observations_unique": 4398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.727
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "R(pim)",
"value": 0.209
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [47.370,9.100],
"number_observations": 9081,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 46.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}