Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a49ab3c2bdf50eaa341c2c87a94e9293",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.736,
"b": 88.736,
"c": 39.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.370,0.990],
"number_observations": 1064833,
"number_observations_unique": 170312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 34366,
"number_observations_unique": 7775,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.113
},
{
"type": "R(meas)",
"value": 1.259
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [44.370,5.420],
"number_observations": 7509,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 49.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}