Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9fdb797b76e3005bdbf93f73fab56be",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.41,
"b": 79.12,
"c": 89.18,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.410,1.430],
"number_observations": 540830,
"number_observations_unique": 82240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 40465,
"number_observations_unique": 6014,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.883
},
{
"type": "R(meas)",
"value": 2.041
},
{
"type": "R(pim)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [62.410,6.400],
"number_observations": 6298,
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}