Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53a183acd78336fc6604d6ee49197058",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 28.93,
"b": 73.75,
"c": 89.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96771],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.710,2.140],
"number_observations": 64227,
"number_observations_unique": 11127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 5042,
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.863
},
{
"type": "R(meas)",
"value": 2.044
},
{
"type": "R(pim)",
"value": 0.828
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.436
}
]
},
{
"resolution_limits": [44.710,9.080],
"number_observations": 841,
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}