Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a29190bba8a608db2fba8937809d250a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.483,
"b": 144.354,
"c": 63.236,
"alpha": 90.00,
"beta": 100.34,
"gamma": 90.00
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.180,1.890],
"number_observations": 232165,
"number_observations_unique": 78701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.890],
"number_observations": 34980,
"number_observations_unique": 11410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.441
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [72.180,5.960],
"number_observations": 6829,
"number_observations_unique": 2533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}