Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3bbb6f085922425ddde59d1333636149",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.329,
"b": 46.274,
"c": 63.428,
"alpha": 90.00,
"beta": 112.02,
"gamma": 90.00
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.270,2.000],
"number_observations": 68767,
"number_observations_unique": 21155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 4766,
"number_observations_unique": 1551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [46.270,8.940],
"number_observations": 833,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}