Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c83cb3f0a58a82fd33efb7deb9354d77",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.46,
"b": 67.46,
"c": 165.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.810,1.700],
"number_observations": 231834,
"number_observations_unique": 25520,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12266,
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.226
},
{
"type": "R(meas)",
"value": 2.357
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [33.810,9.000],
"number_observations": 1603,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}