Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e32f1509bcf26df072c31c80a313b67",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 51.81,
"b": 51.81,
"c": 229.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.866,2.672],
"number_observations": 101199,
"number_observations_unique": 10453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.670],
"number_observations": 15298,
"number_observations_unique": 1493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "R(pim)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.990,2.820],
"number_observations": 14310,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.190,2.990],
"number_observations": 13024,
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [3.450,3.190],
"number_observations": 12053,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [3.780,3.450],
"number_observations": 11184,
"number_observations_unique": 1136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [4.230,3.780],
"number_observations": 10204,
"number_observations_unique": 1050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
}
]
},
{
"resolution_limits": [4.880,4.230],
"number_observations": 8415,
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
}
]
},
{
"resolution_limits": [5.980,4.880],
"number_observations": 7688,
"number_observations_unique": 805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [8.450,5.980],
"number_observations": 5877,
"number_observations_unique": 637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [44.866,8.450],
"number_observations": 3146,
"number_observations_unique": 375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.400
}
]
}
]
}