Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "728904f6eeace49ba172aeb0ea98fba7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.189,
"b": 84.631,
"c": 88.127,
"alpha": 90.00,
"beta": 131.06,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.470,1.320],
"number_observations": 760900,
"number_observations_unique": 121790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 81.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.360],
"number_observations": 24204,
"number_observations_unique": 7166,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.172
},
{
"type": "R(meas)",
"value": 2.561
},
{
"type": "R(pim)",
"value": 1.323
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 32.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.387
}
]
},
{
"resolution_limits": [66.470,4.300],
"number_observations": 33378,
"number_observations_unique": 4886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 66.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}