Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11c1c499cffa263d461e5b71dfde2fae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.117,
"b": 57.279,
"c": 115.150,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.640,1.600],
"number_observations": 301494,
"number_observations_unique": 46347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 22315,
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.848
},
{
"type": "R(meas)",
"value": 0.918
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [28.640,7.150],
"number_observations": 3620,
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 56.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}