Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1958264e83d00e6a49e016a7070e5dff",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 76.080,
"b": 76.080,
"c": 187.216,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07234],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.250,2.699],
"number_observations_unique": 7840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.233
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 4407,
"number_observations_unique": 1009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [48.250,8.950],
"number_observations": 1361,
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
}
]
}