Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65794bf194e6eed847e73ea4a5a177ab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 89.379,
"b": 181.009,
"c": 53.081,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.800],
"number_observations_unique": 20716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations_unique": 3021,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.944
},
{
"type": "R(meas)",
"value": 2.094
},
{
"type": "R(pim)",
"value": 0.773
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.130,2.950],
"number_observations_unique": 2831,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.365
},
{
"type": "R(meas)",
"value": 1.471
},
{
"type": "R(pim)",
"value": 0.546
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.350,3.130],
"number_observations_unique": 2708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "R(pim)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.610,3.350],
"number_observations_unique": 2480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [3.960,3.610],
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [4.430,3.960],
"number_observations_unique": 2082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [5.110,4.430],
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [6.260,5.110],
"number_observations_unique": 1560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [8.850,6.260],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [45.787,8.850],
"number_observations_unique": 668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.0
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
}
]
}