Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59ad5a337da6bf0c1a2923ce0839268a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.969,
"b": 99.495,
"c": 139.314,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.970,2.460],
"number_observations": 228939,
"number_observations_unique": 25446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.460],
"number_observations": 24873,
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [48.970,8.870],
"number_observations": 5086,
"number_observations_unique": 628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}