Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f79c0c23709f9386e9921f1fd769e32",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.327,
"b": 56.593,
"c": 101.684,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.720,1.490],
"number_observations": 315616,
"number_observations_unique": 52550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.490],
"number_observations": 42219,
"number_observations_unique": 6865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [21.720,4.940],
"number_observations": 10521,
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}