Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "386bc1417e6d8233f579b17ac4021487",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.67,
"b": 45.54,
"c": 83.60,
"alpha": 90.00,
"beta": 101.87,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.060,2.290],
"number_observations": 59275,
"number_observations_unique": 19266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
"refln_shells": [
{
"resolution_limits": [2.350,2.290],
"number_observations": 3412,
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.628
},
{
"type": "R(meas)",
"value": 2.010
},
{
"type": "R(pim)",
"value": 1.158
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 78.300
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [39.060,10.250],
"number_observations": 662,
"number_observations_unique": 225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 81.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}