Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6582f23cb1dc66548b45270d27419d41",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 171.370,
"b": 52.462,
"c": 116.457,
"alpha": 90.00,
"beta": 128.74,
"gamma": 90.00
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,2.570],
"number_observations": 74724,
"number_observations_unique": 25240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.680,2.570],
"number_observations": 7076,
"number_observations_unique": 2553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.710
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [29.050,8.900],
"number_observations": 1778,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}