Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfeaee31f6bd8a587b13422d87958c0d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.283,
"b": 72.009,
"c": 76.680,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98298],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.410,1.800],
"number_observations": 378075,
"number_observations_unique": 30598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 22261,
"number_observations_unique": 1794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [46.410,9.000],
"number_observations": 3402,
"number_observations_unique": 305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}