Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60a2dcaf17b901799f7e81663013a5b8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.164,
"b": 100.401,
"c": 104.653,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91190],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.450,1.900],
"number_observations": 800731,
"number_observations_unique": 59830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 51992,
"number_observations_unique": 3774,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.770
},
{
"type": "R(meas)",
"value": 1.840
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [72.450,9.110],
"number_observations": 7932,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}