Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "342088ce3d8d145cb929e75a60143503",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.883,
"b": 27.236,
"c": 56.313,
"alpha": 90.00,
"beta": 99.95,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.740,1.150],
"number_observations": 173323,
"number_observations_unique": 32981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 74.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 128,
"number_observations_unique": 122,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.414
},
{
"type": "R(pim)",
"value": 1.000
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 5.600
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [27.740,6.300],
"number_observations": 1629,
"number_observations_unique": 296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 41.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
}
]
}