Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9c747faf7ae7af7190caa24f58ff5c8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.886,
"b": 27.518,
"c": 56.266,
"alpha": 90.00,
"beta": 99.84,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.440,1.250],
"number_observations": 169612,
"number_observations_unique": 29107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 1689,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.017
},
{
"type": "R(meas)",
"value": 2.495
},
{
"type": "R(pim)",
"value": 1.445
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 33.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.165
}
]
},
{
"resolution_limits": [55.440,6.840],
"number_observations": 1301,
"number_observations_unique": 240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 69.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}