Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "876c1e1181df925a630ee1285455d516",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 50.497,
"b": 70.089,
"c": 118.448,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.010,2.010],
"number_observations": 47481,
"number_observations_unique": 8630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.010],
"number_observations": 2886,
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.118
},
{
"type": "R(meas)",
"value": 1.499
},
{
"type": "R(pim)",
"value": 0.989
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 78.000
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.158
}
]
},
{
"resolution_limits": [41.010,9.010],
"number_observations": 589,
"number_observations_unique": 255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 77.900
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}