Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84bddd8c68551646b181e228f860ab4c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 217.723,
"b": 125.851,
"c": 148.970,
"alpha": 90.00,
"beta": 101.52,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [145.969,3.150],
"number_observations": 258254,
"number_observations_unique": 57984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 85.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
"refln_shells": [
{
"resolution_limits": [3.320,3.150],
"number_observations": 29065,
"number_observations_unique": 7861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.705
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 79.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [3.520,3.320],
"number_observations": 30227,
"number_observations_unique": 7537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "R(meas)",
"value": 0.520
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.760,3.520],
"number_observations": 30992,
"number_observations_unique": 7191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 81.400
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.070,3.760],
"number_observations": 31354,
"number_observations_unique": 6819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [4.450,4.070],
"number_observations": 31007,
"number_observations_unique": 6340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 83.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [4.980,4.450],
"number_observations": 29324,
"number_observations_unique": 5943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [5.750,4.980],
"number_observations": 26339,
"number_observations_unique": 5503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [7.040,5.750],
"number_observations": 21559,
"number_observations_unique": 4824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [9.960,7.040],
"number_observations": 17553,
"number_observations_unique": 3861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [29.914,9.960],
"number_observations": 10834,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}