Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35626d6f175bc8ad9c6df802116202cf",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.41,
"b": 70.65,
"c": 114.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.121,2.000],
"number_observations": 299754,
"number_observations_unique": 27872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 42963,
"number_observations_unique": 3997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 40818,
"number_observations_unique": 3787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 38805,
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 36141,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 33461,
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 30201,
"number_observations_unique": 2787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 27036,
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 22999,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 17638,
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
}
]
},
{
"resolution_limits": [37.401,6.320],
"number_observations": 9692,
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.700
}
]
}
]
}